SCHEMBL3727870

SCHEMBL3727870

Nc1c(-c2nc3ccccc3[nH]2)cnc2cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
PDPK1 O15530 1/20 0.49
ALDH1A1 P00352 11/20 0.49
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
HPGD P15428 9/20 0.49
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
HSD17B10 Q99714 7/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
GPR55 Q9Y2T6 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
AMY1A P0DUB6 1/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL3731964 0.90 ADORA3 (0.53) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3738781 0.85 SMN1; SMN2 (0.52) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3741834 0.85 PTGES (0.55) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL1052507 0.81 HPGD (0.61) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL3728452 0.81 ALDH1A1 (0.53) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3728503 0.80 FGFR1 (0.56) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL1054760 0.79 SLC2A1 (0.60) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3732815 0.79 NPC1 (0.53) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3738156 0.78 CDK1 (0.46) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3736757 0.78 ALDH1A1 (0.53) CDK1CDK2MKNK1MKNK2PDPK1

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
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed