SCHEMBL19273392

SCHEMBL19273392

CC(C)(C#N)c1cn(COCC[Si](C)(C)C)c2cccnc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ DGAT1 O75907 2/20 0.35
▸ HTR6 P50406 2/20 0.32
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL27251066 0.83 AR (0.36) EGFRIGF1RSRCFLT4KDR
SCHEMBL19260892 0.82 DGAT1 (0.35) EGFRIGF1RSRCFLT4KDR
SCHEMBL19273391 0.80 EGFR (0.35) EGFRIGF1RSRCFLT4KDR
SCHEMBL31716596 0.72 NPC1 (0.36) NPC1
SCHEMBL19689860 0.70 ELANE (0.45) HTR6
SCHEMBL30483953 0.68 LTA4H (0.45) EGFRIGF1RSRCFLT4KDR
SCHEMBL21474724 0.68 LTA4H (0.45) EGFRIGF1RSRCFLT4KDR
SCHEMBL10329164 0.68 RPS6KA5 (0.41) EGFRIGF1RSRCFLT4KDR
SCHEMBL1779420 0.68 ALDH1A1 (0.51) EGFRIGF1RSRCFLT4KDR
SCHEMBL17883434 0.68 ELANE (0.41) —

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
WO-2017143134-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-24 — — WO disclosed
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