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Sugi Predict / Compounds / SCHEMBL486043

SCHEMBL486043

SCHEMBL486043

CCCCNC(=O)c1ccc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)nc1NC1CC1.Nc1ccc(CNC(=O)Nc2ccc(-c3ccc(C(=O)NC4CCCC4)c(NC4CC4)n3)cc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 20/20 0.47
▸ MERTK Q12866 20/20 0.47
▸ GAS6 Q14393 19/20 0.47
▸ FLT3 P36888 18/20 0.47
▸ AXL P30530 2/20 0.43

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
SCHEMBL486036 0.96 TYRO3 (0.51) TYRO3MERTKGAS6FLT3AXL
SCHEMBL486117 0.94 ALOX5AP (0.44) TYRO3MERTKGAS6FLT3
SCHEMBL485973 0.92 ALOX5AP (0.43) TYRO3MERTKGAS6FLT3AXL
SCHEMBL486114 0.85 MEN1 (0.41) TYRO3MERTKGAS6FLT3
SCHEMBL3048653 0.85 TYRO3 (0.51) TYRO3MERTKGAS6FLT3AXL
SCHEMBL3042675 0.82 NAMPT (0.45) TYRO3MERTKGAS6FLT3
SCHEMBL3050217 0.80 HDAC1 (0.47) TYRO3MERTKGAS6FLT3
SCHEMBL486537 0.80 ALOX5AP (0.41) TYRO3MERTKGAS6FLT3
SCHEMBL485940 0.80 KCNH2 (0.41) —
SCHEMBL485803 0.79 TLR2 (0.39) TYRO3MERTKGAS6FLT3

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-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 — — EP claimed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI-AVENTIS (FR) 2010-09-30 — — WO claimed