SCHEMBL9340477

SCHEMBL9340477

CCCOc1cc(F)nc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
NUDT1 P36639 3/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
POLB P06746 2/20 0.39
TLR8 Q9NR97 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL9340530 0.88 CDK1 (0.43) KMT2AALDH1A1NPC1RAB9AMAPK1
SCHEMBL2987423 0.87 ALDH1A1 (0.46) KMT2AHTTALDH1A1LMNAHSD17B10
SCHEMBL8446516 0.85 NPC1 (0.54) KMT2AALDH1A1LMNANPC1RAB9A
SCHEMBL17581241 0.84 KMT2A (0.44) KMT2AALDH1A1NPC1RAB9AMAPK1
SCHEMBL17589003 0.81 HTR7 (0.46) KMT2ANUDT1POLBMAPTADORA2A
SCHEMBL31403787 0.80 ALDH1A1 (0.45) HTTALDH1A1LMNAHSD17B10NPC1
SCHEMBL11099815 0.80 NUDT1 (0.62) KMT2AHTTALDH1A1LMNAHSD17B10
SCHEMBL5915041 0.79 ALDH1A1 (0.54) KMT2AHTTALDH1A1LMNAHSD17B10
SCHEMBL2990823 0.77 CDK1 (0.46) KMT2AHTTALDH1A1LMNAHSD17B10
SCHEMBL8448250 0.75 KMT2A (0.51) KMT2AALDH1A1LMNANPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378089-B1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF AG (DE) 1994-06-29 EP disclosed
EP-0378092-B1 Herbicidal sulfonyl ureas, process for preparing them and their use BASF AG (DE) 1994-05-11 EP disclosed
US-5011927-A Preparation of 2-amino-4-fluoropyrimidine derivatives BASF AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed
EP-0378089-A1 Method for the preparation of 2-amino-4-fluoropyrimidine derivatives BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed
EP-0378092-A1 Herbicidal sulfonyl ureas, process for preparing them and their use BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed