SCHEMBL27768040

SCHEMBL27768040

NCc1ccc(F)c(NC(=O)Nc2ccc(-c3cc(CN4CCOCC4)n4ncnc(N)c34)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 10/20 0.63
MERTK Q12866 1/20 0.52
FLT3 P36888 5/20 0.50
KDR P35968 5/20 0.50
KIT P10721 2/20 0.50
IKBKE Q14164 2/20 0.49
FGFR1 P11362 3/20 0.49
RET P07949 2/20 0.49
RPS6KA3 P51812 2/20 0.49
MAP4K2 Q12851 2/20 0.49
BCR P11274 1/20 0.49
FRK P42685 1/20 0.49
MAPK9 P45984 1/20 0.49
PRKCD Q05655 1/20 0.49
DDR1 Q08345 1/20 0.49
TNK1 Q13470 1/20 0.49
RPS6KA1 Q15418 1/20 0.49
MAP3K11 Q16584 1/20 0.49
DDR2 Q16832 1/20 0.49
RPS6KA6 Q9UK32 1/20 0.49

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
SCHEMBL27747161 0.91 ACVRL1 (0.60) ACVRL1MERTKFLT3KDRKIT
SCHEMBL58124 0.90 KDR (0.62) ACVRL1MERTKFLT3KDRKIT
SCHEMBL58646 0.89 IKBKE (0.63) ACVRL1MERTKFLT3KDRKIT
SCHEMBL27747118 0.88 ACVRL1 (0.54) ACVRL1MERTKFLT3KDRKIT
SCHEMBL57826 0.88 KDR (0.59) ACVRL1MERTKFLT3KDRKIT
Hydrochloric Acid SCHEMBL27768114 0.87 ACVRL1 (0.63) ACVRL1MERTKFLT3KDRKIT
SCHEMBL57821 0.86 IKBKE (0.60) ACVRL1MERTKFLT3KDRKIT
SCHEMBL58594 0.85 ACVRL1 (0.60) ACVRL1MERTKFLT3KDRKIT
SCHEMBL90881 0.84 ACVRL1 (0.60) ACVRL1MERTKFLT3KDRKIT
SCHEMBL58616 0.83 ACVRL1 (0.62) ACVRL1MERTKFLT3KDRKIT

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
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN claimed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed