SCHEMBL14463229

SCHEMBL14463229

COc1cc2nc(N3CCNCC3)[nH]c(=O)c2c(C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 5/20 0.41
▸ TGFBR1 P36897 4/20 0.41
▸ ACVR1B P36896 2/20 0.41
▸ BMPR1A P36894 2/20 0.41
▸ ACVRL1 P37023 2/20 0.41
▸ BMPR1B O00238 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ DDR1 Q08345 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ MINK1 Q8N4C8 1/20 0.41
▸ SIK2 Q9H0K1 1/20 0.41
▸ MAP3K20 Q9NYL2 1/20 0.41
▸ NLK Q9UBE8 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL20422066 0.75 MAPT (0.52) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL5262850 0.75 PDE3B (0.43) POLB
SCHEMBL14463637 0.72 PDE10A (0.41) ALDH1A1TNKSTNKS2
SCHEMBL14463639 0.71 TNKS (0.35) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL7246305 0.70 ADRA1D (0.43) KDM4EALDH1A1MAPTHTR3A
SCHEMBL5262020 0.67 LMNA (0.39) ACVR1TGFBR1KDM4EALDH1A1POLB
SCHEMBL20422067 0.67 PARP1 (0.51) ITGB3ITGA2BNCF1HTR3ATNKS
SCHEMBL20422063 0.67 GFER (0.55) KDM4EITGB3ITGA2BNCF1HTR3A
SCHEMBL20422061 0.67 MAPT (0.45) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL5263885 0.66 DCTPP1 (0.36) ADRA2AKCNH2KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644343-B1 5-SUBSTITUTED QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-07-04 — — EP disclosed
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