SCHEMBL7216937

SCHEMBL7216937

CCCNc1nc(-c2ccccc2)ncc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.53
PDE4B Q07343 4/20 0.52
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HCAR3 P49019 1/20 0.46
CHRNA7 P36544 1/20 0.46
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3255471 0.92 MEN1 (0.54) PDE4BALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11160675 0.89 MEN1 (0.51) PDE4BALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11281579 0.89 PDE4B (0.53) PDE5APDE4BALDH1A1SMN1; SMN2MAPT
SCHEMBL7210767 0.86 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL11162717 0.86 ALDH1A1 (0.51) PDE4BALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7212190 0.82 SMN1; SMN2 (0.46) PDE4BALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5914393 0.81 MEN1 (0.55) PDE4BALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11162923 0.80 MEN1 (0.48) PDE4BALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3256027 0.79 MEN1 (0.55) PDE4BALDH1A1MAPTLMNAMEN1
SCHEMBL12929684 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036794-B1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2003-08-27 EP disclosed
US-6372740-B1 NERVOUS SYSTEM DISORDERS, ANTIEPILEPTIC AGENTS AND ANTIDEPRESSANTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2002-04-16 US disclosed
EP-1036794-A1 2-ARYL-8-OXODIHYDROPURINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME, AND INTERMEDIATES THEREOF Dainippon Pharmaceutical Co., Ltd. (JP) 2000-09-20 EP disclosed
EP-0018139-B1 PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR PREPARING THE PYRIDO (2,3-D) PYRIMIDINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1983-05-04 EP disclosed
US-4301281-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]-pyrimidine-6-carboxylic acid amides AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-17 US disclosed
US-4255568-A ANTIALLERGENS AND ANTISECRETORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-10 US disclosed
US-4236004-A 2-Alkylsulphonyl-7,8-dihydro-5-hydroxy-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-25 US disclosed
US-4233446-A 5-Chloro-7,8-dihydro-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-11 US disclosed
EP-0018139-A2 Pyrido (2,3-d) pyrimidine derivatives, pharmaceutical compositions containing them and processes for preparing the pyrido (2,3-d) pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-10-29 EP disclosed
US-4215216-A 7,8-Dihydro-2,5,8-trisubstituted-7-oxo-pyrido[2,3-d]pyrimidine-6-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-07-29 US disclosed