SCHEMBL4721997

SCHEMBL4721997

COc1cc(Nc2cc(N(C)CC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 7/20 0.42
TBK1 Q9UHD2 2/20 0.38
ACACB O00763 2/20 0.36
FGFR4 P22455 4/20 0.36
FGFR1 P11362 3/20 0.35
EGFR P00533 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35

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
SCHEMBL27939112 0.92 FGFR3 (0.44) FGFR3TBK1ACACBFGFR4FGFR1
SCHEMBL4722459 0.89 TBK1 (0.38) FGFR3TBK1ACACBFGFR4FGFR1
SCHEMBL390655 0.88 TBK1 (0.46) FGFR3TBK1GPR119PIK3CAPRKDC
SCHEMBL4719368 0.85 TBK1 (0.38) FGFR3TBK1ACACBFGFR4FGFR1
SCHEMBL4719783 0.85 TBK1 (0.39) FGFR3TBK1ACACBCYP3A4CYP2C9
SCHEMBL4721914 0.85 GPR119 (0.46) TBK1GPR119S1PR1
SCHEMBL4723148 0.84 GPR119 (0.41) FGFR3TBK1ACACBCYP3A4CYP2C9
SCHEMBL4721012 0.84 TBK1 (0.38) FGFR3TBK1ACACBFGFR4FGFR1
SCHEMBL4721883 0.84 CDK1 (0.40) FGFR3TBK1ACACBEGFRCYP3A4
SCHEMBL4721660 0.84 GPR119 (0.40) FGFR3TBK1ACACBCYP3A4CYP2C9

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
EP-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed