SCHEMBL19492278

SCHEMBL19492278

Cc1cccc(-c2[nH]c(CNc3cccc(CNCCOc4nc5ccc(-c6nc(CNc7cc(CN(C)C)ccc7F)[nH]c6-c6cccc(C)n6)cn5n4)c3)nc2-c2ccc3ncnn3c2)n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 20/20 0.74
▸ MAPK14 Q16539 20/20 0.74
▸ RIPK2 O43353 1/20 0.57
▸ TGFB1 P01137 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ ACVR1B P36896 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL248723 0.86 TGFBR1 (1.00) TGFBR1MAPK14RIPK2TGFB1KDR
SCHEMBL248999 0.84 TGFBR1 (0.84) TGFBR1MAPK14
SCHEMBL19492194 0.81 TGFBR1 (0.69) TGFBR1MAPK14
SCHEMBL19492146 0.80 TGFBR1 (0.81) TGFBR1MAPK14
SCHEMBL3439090 0.77 TGFBR1 (1.00) TGFBR1MAPK14RIPK2TGFB1KDR
SCHEMBL250389 0.77 TGFBR1 (0.81) TGFBR1MAPK14
SCHEMBL248954 0.76 TGFBR1 (1.00) TGFBR1MAPK14RIPK2TGFB1KDR
SCHEMBL250142 0.76 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL249065 0.76 TGFBR1 (0.84) TGFBR1MAPK14
SCHEMBL247145 0.76 TGFBR1 (1.00) 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-2947081-B1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-10-18 — — EP disclosed
Send feedback