SCHEMBL3362938

SCHEMBL3362938

COc1cncc(-c2cc3c(c(Nc4ccc(CCCN(C)C)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.38
BPTF Q12830 1/20 0.35
KAT2B Q92831 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
SYK P43405 2/20 0.33
CYP3A4 P08684 1/20 0.32
FGFR3 P22607 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDR P35968 5/20 0.32
FYN P06241 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
PTGES O14684 1/20 0.32
ACP1 P24666 1/20 0.32
CDK1 P06493 1/20 0.31
PDGFRB P09619 2/20 0.31
KIT P10721 2/20 0.31
FGFR1 P11362 2/20 0.31

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
SCHEMBL3358361 0.83 CYP3A4 (0.35) BPTFKAT2BBRD9CYP3A4FGFR3
SCHEMBL1049337 0.78 ZAP70 (0.62) ZAP70BPTFKAT2BBRD9PIK3CA
SCHEMBL3359111 0.76 ZAP70 (0.52) ZAP70SYK
SCHEMBL3359741 0.75 ZAP70 (0.49) ZAP70SYK
SCHEMBL3358601 0.75 ZAP70 (0.49) ZAP70SYK
SCHEMBL3359957 0.75 SYK (0.43) ZAP70SYKKDRCDK1
SCHEMBL3362028 0.75 ZAP70 (0.49) ZAP70SYKCYP11B2ACP1
SCHEMBL3362351 0.75 ZAP70 (0.49) ZAP70SYKFYN
SCHEMBL3362595 0.74 ZAP70 (0.48) ZAP70PIK3CAPIK3CGSYKKDR
SCHEMBL3360188 0.74 ZAP70 (0.48) ZAP70SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed