SCHEMBL18686992

SCHEMBL18686992

Cc1cccc(-c2[nH]c(CNc3cc(C#N)cc(CN4CCCCC4)c3)nc2-c2ccc3ncnn3c2)n1

nearest known ligand 0.99

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.99
MAPK14 Q16539 18/20 0.99

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
SCHEMBL250089 0.99 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL249995 0.93 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL19492113 0.90 TGFBR1 (0.82) TGFBR1MAPK14
SCHEMBL248618 0.89 TGFBR1 (0.82) TGFBR1MAPK14
SCHEMBL249867 0.87 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL249473 0.86 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL247976 0.86 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL29631969 0.86 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL250006 0.85 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL19492220 0.84 TGFBR1 (0.78) TGFBR1MAPK14

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-2588479-B3 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-03-29 EP disclosed