SCHEMBL58645

SCHEMBL58645

CC(C)(C)N(C(=O)O)c1ccc(-c2cc(CN3CCOCC3)n3ncnc(N)c23)cc1F

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 15/20 0.61
MERTK Q12866 1/20 0.48
RET P07949 1/20 0.42
BCR P11274 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT3 P36888 1/20 0.42
FRK P42685 1/20 0.42
MAPK9 P45984 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PRKCD Q05655 1/20 0.42
DDR1 Q08345 1/20 0.42
MAP4K2 Q12851 1/20 0.42
TNK1 Q13470 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
MAP3K11 Q16584 1/20 0.42
DDR2 Q16832 1/20 0.42
RPS6KA6 Q9UK32 1/20 0.42
PIK3CD O00329 3/20 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
SCHEMBL59022 0.90 ACVRL1 (0.59) ACVRL1MERTKRETBCRFGFR1
SCHEMBL58580 0.90 ACVRL1 (0.50) ACVRL1MERTKPIK3CD
SCHEMBL276256 0.84 FGFR1 (0.49) ACVRL1MERTKRETBCRFGFR1
SCHEMBL2635585 0.81 ACVRL1 (0.66) ACVRL1MERTKRETBCRFGFR1
SCHEMBL60341 0.81 ACVRL1 (0.74) ACVRL1MERTKRETBCRFGFR1
SCHEMBL16011216 0.80 ACVRL1 (0.65) ACVRL1MERTKRETBCRFGFR1
SCHEMBL64719 0.80 ACVRL1 (0.60) ACVRL1MERTKRETBCRFGFR1
SCHEMBL16011354 0.80 ACVRL1 (0.80) ACVRL1MERTKPIK3CD
SCHEMBL2999417 0.80 ACVRL1 (0.54) ACVRL1MERTKRETBCRFGFR1
SCHEMBL27959159 0.79 ACVRL1 (0.66) 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 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