SCHEMBL2729802

SCHEMBL2729802

COc1ccc(COc2nc(SC)nc(Nc3cccc(OC)c3)c2C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 3/20 0.46
LMNA P02545 1/20 0.46
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
KDR P35968 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
SYK P43405 1/20 0.41
CA2 P00918 2/20 0.41
CDK1 P06493 1/20 0.41
KIT P10721 2/20 0.40
PLK1 P53350 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
SCHEMBL2728619 0.79 KDM4E (0.60) KDM4EGAAMAPTRXFP1LMNA
SCHEMBL2718840 0.79 RXFP1 (0.49) KDM4ERXFP1LMNAKDRALDH1A1
SCHEMBL2718839 0.78 RXFP1 (0.52) RXFP1LMNAKDRCA1CA2
SCHEMBL2723066 0.77 SYK (0.51) KDM4EGAAMAPTCA12CA1
SCHEMBL2723063 0.77 SYK (0.51) KDM4EGAAMAPTCA12CA1
SCHEMBL2728689 0.76 RXFP1 (0.67) KDM4EGAAMAPTRXFP1LMNA
SCHEMBL2718973 0.76 RXFP1 (0.51) KDM4ERXFP1LMNAALDH1A1HPGD
SCHEMBL2719422 0.75 RXFP1 (0.51) RXFP1LMNACA12CA1CA9
SCHEMBL21070990 0.74 CA1 (0.45) KDM4EMAPTRXFP1LMNACA1
SCHEMBL21069948 0.74 CA1 (0.48) KDM4EMAPTRXFP1LMNACA1

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
WO-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed