SCHEMBL14014373

SCHEMBL14014373

COc1ccc(-c2cnc3c(C#N)cnn3c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.65
CSNK2A1 P68400 3/20 0.55
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDR P35968 5/20 0.45
KDM4D Q6B0I6 1/20 0.43
MAPT P10636 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
HPGD P15428 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL14014460 0.85 ALDH1A1 (0.50) SMN1; SMN2CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL4707789 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL14014371 0.83 KDM4E (0.59) SMN1; SMN2CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL4709978 0.81 GRM2 (0.48) SMN1; SMN2KDM4EALDH1A1LMNAPOLB
SCHEMBL14014391 0.81 GRM2 (0.48) SMN1; SMN2KDM4EALDH1A1LMNAPOLB
SCHEMBL14014472 0.81 SMN1; SMN2 (0.56) SMN1; SMN2CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL4706821 0.80 KDM4E (0.52) SMN1; SMN2CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL4708050 0.80 KDM4E (0.52) SMN1; SMN2CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL29071807 0.79 SMN1; SMN2 (1.00) SMN1; SMN2CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL14014378 0.76 KDM4E (0.65) SMN1; SMN2KDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed