SCHEMBL3358361

SCHEMBL3358361

COc1ccncc1-c1cc2c(c(Nc3ccc(CCCN(C)C)cc3)n1)C(=O)[N]C=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
FGFR3 P22607 1/20 0.35
CYP2C19 P33261 1/20 0.35
BPTF Q12830 1/20 0.35
KAT2B Q92831 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
PLK1 P53350 3/20 0.32
PDGFRB P09619 2/20 0.32
KDR P35968 2/20 0.32
PLK3 Q9H4B4 2/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT3 P36888 1/20 0.32
CSNK2A1 P68400 1/20 0.31
CYP17A1 P05093 1/20 0.31
WEE1 P30291 1/20 0.31
MELK Q14680 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL3362938 0.83 ZAP70 (0.38) CYP3A4FGFR3CYP2C19BPTFKAT2B
SCHEMBL1047789 0.78 ZAP70 (0.49) CYP3A4FGFR3CYP2C19BPTFKAT2B
SCHEMBL3362901 0.77 MAP4K1 (0.44) PLK1KDRCSNK2A1WEE1CCNT1
SCHEMBL12928831 0.67 ZAP70 (0.62) BPTFKAT2BBRD9KDR
SCHEMBL3359073 0.65 TNIK (0.42) KDRABL1BCR
SCHEMBL3359667 0.65 IMPDH2 (0.40)
SCHEMBL3362622 0.64 SYK (0.37) CCNT1CDK9
SCHEMBL3358444 0.62 JAK2 (0.39) CYP3A4CYP2C19
SCHEMBL3359217 0.62 ZAP70 (0.49) FLT3CCNT1CCNA2CDK2CDK9
SCHEMBL3359641 0.61 ZAP70 (0.41) KDRFGFR1

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