SCHEMBL3731964

SCHEMBL3731964

Nc1c(-c2nc3ccccc3[nH]2)cnc2ccc(Cl)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.53
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 10/20 0.49
NPC1 O15118 9/20 0.49
KDM4E B2RXH2 8/20 0.49
RAB9A P51151 8/20 0.49
HPGD P15428 8/20 0.49
HSD17B10 Q99714 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 4/20 0.47

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
SCHEMBL3727870 0.90 ADORA3 (0.50) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3745904 0.85 PDPK1 (0.52) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3732791 0.85 CDK1 (0.52) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL1051901 0.84 ALDH1A1 (0.43) ADORA3ALDH1A1NPC1KDM4ERAB9A
SCHEMBL3728452 0.83 ALDH1A1 (0.53) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3730930 0.80 ADORA3 (0.48) ADORA3ALDH1A1NPC1KDM4ERAB9A
SCHEMBL1054760 0.79 SLC2A1 (0.60) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL3732815 0.79 NPC1 (0.53) ADORA3CDK1CDK2MKNK1MKNK2
SCHEMBL4288330 0.78 ADORA3 (0.46) ADORA3ALDH1A1NPC1KDM4ERAB9A
SCHEMBL3731117 0.78 RAB9A (0.62) ALDH1A1NPC1KDM4ERAB9AHPGD

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