SCHEMBL9038372

SCHEMBL9038372

Cn1c(=O)c2c(NN)ccnc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ADORA2A P29274 3/20 0.40
ADORA2B P29275 3/20 0.40
PIK3CD O00329 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
NTSR1 P30989 1/20 0.40
MC3R P41968 1/20 0.40
NOTUM Q6P988 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
GDA Q9Y2T3 1/20 0.40
NR2E1 Q9Y466 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
FEN1 P39748 1/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL9039454 0.87 TAS2R14 (0.46) TAS2R14ALDH1A1KDM4EADORA2AADORA2B
SCHEMBL9039797 0.86 TAS2R14 (0.48) TAS2R14ALDH1A1KDM4EADORA2AADORA2B
SCHEMBL9039947 0.83 TAS2R14 (0.44) TAS2R14ALDH1A1KDM4EADORA2AADORA2B
SCHEMBL9037923 0.83 TAS2R14 (0.46) TAS2R14ALDH1A1KDM4EADORA2AADORA2B
SCHEMBL9538645 0.83 TAS2R14 (0.46) TAS2R14ALDH1A1KDM4ELMNATP53
SCHEMBL9038676 0.82 TAS2R14 (0.48) TAS2R14ALDH1A1KDM4EPOLBLMNA
SCHEMBL9536256 0.80 TAS2R14 (0.45) TAS2R14ALDH1A1KDM4EADORA2AADORA2B
SCHEMBL9039484 0.80 TAS2R14 (0.46) TAS2R14ALDH1A1KDM4EADORA2BLMNA
SCHEMBL9534385 0.80 TAS2R14 (0.44) TAS2R14ALDH1A1KDM4ELMNATP53
SCHEMBL9039344 0.79 HTT (0.46) TAS2R14ALDH1A1KDM4EADORA2BLMNA

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-0243311-A2 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1987-10-28 EP claimed
EP-0696590-A1 Pyrido[2,3-d]pyrimidine derivatives, their preparation and their use as anti-asthma agents NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-02-14 EP disclosed
EP-0243311-B1 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1993-06-09 EP disclosed
US-4808587-A ANTIALLEGENS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-02-28 US disclosed
EP-0243311-A2 Pyrido[2,3-d]pyrimidine derivatives NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1987-10-28 EP disclosed