SCHEMBL5132542

SCHEMBL5132542

CC(O)c1cc(-c2ccc(N(C(N)=O)c3cc(C(F)(F)F)ccc3F)c(F)c2)c2c(N)ncnn12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 7/20 0.51
RIPK1 Q13546 2/20 0.43
CFTR P13569 6/20 0.40
ALOX5AP P20292 5/20 0.36
FEN1 P39748 5/20 0.36

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
SCHEMBL14700077 0.83 ACVRL1 (0.49) ACVRL1RIPK1CFTR
SCHEMBL5146643 0.81 ACVRL1 (0.53) ACVRL1RIPK1
SCHEMBL842395 0.81 ACVRL1 (0.41) ACVRL1RIPK1ALOX5APFEN1
SCHEMBL58182 0.80 FLT3 (0.54) ACVRL1RIPK1
SCHEMBL5139994 0.77 ACVRL1 (0.46) ACVRL1ALOX5APFEN1
SCHEMBL5141128 0.75 FGFR1 (0.51) RIPK1
SCHEMBL5132591 0.74 ACVRL1 (0.52) ACVRL1RIPK1ALOX5APFEN1
SCHEMBL2999462 0.73 KCNH2 (0.39) ACVRL1RIPK1ALOX5APFEN1
SCHEMBL5108845 0.73 ACVRL1 (0.58) ACVRL1ALOX5APFEN1
SCHEMBL5031488 0.73 ACVRL1 (0.48) ACVRL1RIPK1CFTR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed