SCHEMBL5132559

SCHEMBL5132559

COc1cc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)ccc1N(C(N)=O)c1cccc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 8/20 0.51
▸ MERTK Q12866 1/20 0.42
▸ RIPK1 Q13546 2/20 0.40
▸ RET P07949 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ FRK P42685 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ DDR1 Q08345 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39
▸ TNK1 Q13470 1/20 0.39
▸ RPS6KA1 Q15418 1/20 0.39
▸ MAP3K11 Q16584 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ RPS6KA6 Q9UK32 1/20 0.39
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL5132591 0.85 ACVRL1 (0.52) ACVRL1MERTKRIPK1RETBCR
SCHEMBL5179824 0.84 ACVRL1 (0.51) ACVRL1MERTKRIPK1RETBCR
SCHEMBL56992 0.82 ACVRL1 (0.51) ACVRL1MERTKRIPK1RETBCR
SCHEMBL59022 0.79 ACVRL1 (0.59) ACVRL1MERTKRIPK1RETBCR
SCHEMBL3005217 0.78 ACVRL1 (0.57) ACVRL1MERTKRETBCRFGFR1
SCHEMBL59034 0.77 ACVRL1 (0.58) ACVRL1MERTKRETBCRFGFR1
SCHEMBL58292 0.76 ACVRL1 (0.58) ACVRL1MERTKRIPK1RETBCR
SCHEMBL60504 0.76 ACVRL1 (0.69) ACVRL1MERTKFGFR1PIK3CD
SCHEMBL5132640 0.76 ACVRL1 (0.43) ACVRL1MERTK
SCHEMBL3004365 0.76 ACVRL1 (0.57) ACVRL1MERTKRETBCRFGFR1

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
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