SCHEMBL27747228

SCHEMBL27747228

Nc1ncnn2c(C3CCN(C(=O)O)CC3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccn4)c(F)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
TYRO3 Q06418 11/20 0.46
ACVRL1 P37023 4/20 0.45
AXL P30530 5/20 0.44
MERTK Q12866 3/20 0.44
RET P07949 1/20 0.43
BCR P11274 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT3 P36888 1/20 0.43
FRK P42685 1/20 0.43
MAPK9 P45984 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKCD Q05655 1/20 0.43
DDR1 Q08345 1/20 0.43
MAP4K2 Q12851 1/20 0.43
TNK1 Q13470 1/20 0.43
RPS6KA1 Q15418 1/20 0.43
MAP3K11 Q16584 1/20 0.43
DDR2 Q16832 1/20 0.43
RPS6KA6 Q9UK32 1/20 0.43

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
SCHEMBL5036402 0.96 BTK (0.47) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL57887 0.94 TYRO3 (0.52) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL58943 0.93 BTK (0.45) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL59603 0.92 ACVRL1 (0.47) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL59086 0.92 TYRO3 (0.47) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL59442 0.92 BTK (0.46) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL58569 0.91 TYRO3 (0.45) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL5036616 0.91 RET (0.52) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL58403 0.91 BTK (0.45) BTKTYRO3ACVRL1AXLMERTK
SCHEMBL60178 0.91 ACVRL1 (0.45) BTKTYRO3ACVRL1AXLMERTK

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