SCHEMBL19492283

SCHEMBL19492283

COCc1ccccc1NCc1nc(-c2ccc3nc(COc4cc(NCc5nc(-c6ccc7ncnn7c6)c(-c6cccc(C)n6)[nH]5)cc(OC)c4)nn3c2)c(-c2cccc(C)n2)[nH]1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.73
MAPK14 Q16539 16/20 0.73
RIPK2 O43353 1/20 0.60
TGFB1 P01137 1/20 0.60
KDR P35968 1/20 0.60
ACVR1B P36896 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL19492275 0.95 TGFBR1 (0.67) TGFBR1MAPK14RIPK2TGFB1KDR
SCHEMBL246799 0.88 TGFBR1 (0.83) TGFBR1MAPK14RIPK2TGFB1KDR
SCHEMBL19492206 0.85 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL250152 0.85 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL248592 0.81 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL19492273 0.81 TGFBR1 (0.69) TGFBR1MAPK14
SCHEMBL248193 0.80 TGFBR1 (1.00) TGFBR1MAPK14RIPK2TGFB1KDR
SCHEMBL250059 0.80 TGFBR1 (1.00) TGFBR1MAPK14RIPK2TGFB1KDR
SCHEMBL249515 0.80 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL19492125 0.80 TGFBR1 (0.80) TGFBR1MAPK14RIPK2TGFB1KDR

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