SCHEMBL3359068

SCHEMBL3359068

CCN1CCC(c2ccc(Nc3nc(-c4ccc(F)c(OC)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.39
SYK P43405 6/20 0.39
MAP4K1 Q92918 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
FGFR3 P22607 1/20 0.37
CYP2C19 P33261 1/20 0.37
ROCK2 O75116 4/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR4 P22455 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 2/20 0.35
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL3359025 0.83 SYK (0.42) ZAP70SYKJAK3
SCHEMBL3360029 0.81 PTK2 (0.42) ZAP70SYKJAK3
SCHEMBL3360308 0.81 SYK (0.44) ZAP70SYKJAK3EGFRLCK
SCHEMBL3362948 0.81 JAK3 (0.36) ZAP70SYKCDK1CDK4CCNA2
SCHEMBL1047562 0.80 ZAP70 (0.59) ZAP70SYK
SCHEMBL3362887 0.79 ZAP70 (0.46) ZAP70SYKCYP3A4CYP2C9FGFR3
SCHEMBL3362704 0.79 ZAP70 (0.40) ZAP70SYKJAK3EGFRLCK
SCHEMBL3360759 0.78 SYK (0.36) ZAP70SYKMAP4K1CYP3A4CYP2C9
SCHEMBL3362632 0.77 ZAP70 (0.45) ZAP70SYKMAP4K1
SCHEMBL3362166 0.77 ZAP70 (0.49) ZAP70SYKJAK3EGFRLCK

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