SCHEMBL4495534

SCHEMBL4495534

CCc1c(C(=O)O)c(C=O)n(C)c1C#Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.39
FFAR1 O14842 1/20 0.38
ERN1 O75460 1/20 0.38
NPC1 O15118 1/20 0.35
HCRTR1 O43613 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HAO1 Q9UJM8 1/20 0.33
HSD17B2 P37059 1/20 0.32

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
SCHEMBL4489152 0.83 TDP1 (0.44) GRM5FFAR1NPC1RAB9A
SCHEMBL4485724 0.79 FFAR1 (0.37) FFAR1
SCHEMBL4482498 0.76 FLT4 (0.35)
SCHEMBL4494936 0.74
SCHEMBL4504364 0.73
SCHEMBL4504858 0.73 PYCR1 (0.39)
SCHEMBL4490394 0.72
SCHEMBL4493135 0.72
SCHEMBL4505670 0.72
SCHEMBL4505398 0.72

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
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed