SCHEMBL3728503

SCHEMBL3728503

Nc1c(-c2nc3ccccc3[nH]2)cnc2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.56
FLT1 P17948 3/20 0.56
CDK1 P06493 2/20 0.53
CDK2 P24941 2/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
ALDH1A1 P00352 8/20 0.51
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
HSD17B10 Q99714 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
METAP2 P50579 2/20 0.51
MAPK1 P28482 1/20 0.51
LDHA P00338 1/20 0.49

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
SCHEMBL4300429 0.84 CDK1 (0.41) FGFR1FLT1CDK1CDK2MKNK1
SCHEMBL4299851 0.83 JMJD6 (0.42) FGFR1FLT1CDK1CDK2MKNK1
SCHEMBL3738781 0.80 SMN1; SMN2 (0.52) FGFR1CDK1CDK2MKNK1MKNK2
SCHEMBL3741834 0.80 PTGES (0.55) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL3727870 0.80 ADORA3 (0.50) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL221334 0.77 ALDH1A1 (0.69) FGFR1FLT1CDK1CDK2MKNK1
SCHEMBL12676445 0.77 ALDH1A1 (0.69) FGFR1FLT1CDK1CDK2MKNK1
SCHEMBL3745904 0.77 PDPK1 (0.52) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL3732791 0.77 CDK1 (0.52) CDK1CDK2MKNK1MKNK2ALDH1A1
SCHEMBL3731964 0.77 ADORA3 (0.53) CDK1CDK2MKNK1MKNK2ALDH1A1

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