SCHEMBL59022

SCHEMBL59022

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 11/20 0.59
MERTK Q12866 1/20 0.47
RIPK1 Q13546 2/20 0.42
FGFR1 P11362 4/20 0.40
FGFR3 P22607 3/20 0.40
PIK3CD O00329 1/20 0.39
RET P07949 1/20 0.39
BCR P11274 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

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
SCHEMBL58645 0.90 ACVRL1 (0.61) ACVRL1MERTKFGFR1PIK3CDRET
SCHEMBL2635793 0.82 ACVRL1 (0.64) ACVRL1MERTKRIPK1FGFR1FGFR3
SCHEMBL60504 0.82 ACVRL1 (0.69) ACVRL1MERTKFGFR1FGFR3PIK3CD
SCHEMBL65771 0.81 ACVRL1 (0.58) ACVRL1MERTKRIPK1FGFR1PIK3CD
SCHEMBL5132591 0.81 ACVRL1 (0.52) ACVRL1MERTKRIPK1FGFR1PIK3CD
SCHEMBL58580 0.80 ACVRL1 (0.50) ACVRL1MERTKPIK3CD
SCHEMBL5179824 0.79 ACVRL1 (0.51) ACVRL1MERTKRIPK1FGFR1PIK3CD
SCHEMBL5132559 0.79 ACVRL1 (0.51) ACVRL1MERTKRIPK1FGFR1PIK3CD
SCHEMBL16011216 0.77 ACVRL1 (0.65) ACVRL1MERTKRIPK1FGFR1RET
SCHEMBL58415 0.76 ACVRL1 (0.52) ACVRL1MERTKRIPK1FGFR1RET

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
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed