SCHEMBL5157669

SCHEMBL5157669

O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1cc(F)c(-c2cc(CN3CCOCC3)n3ncnc([AsH2])c23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.53
BCR P11274 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT3 P36888 1/20 0.53
FRK P42685 1/20 0.53
MAPK9 P45984 1/20 0.53
RPS6KA3 P51812 1/20 0.53
PRKCD Q05655 1/20 0.53
DDR1 Q08345 1/20 0.53
MAP4K2 Q12851 1/20 0.53
TNK1 Q13470 1/20 0.53
RPS6KA1 Q15418 1/20 0.53
MAP3K11 Q16584 1/20 0.53
DDR2 Q16832 1/20 0.53
RPS6KA6 Q9UK32 1/20 0.53
IKBKE Q14164 1/20 0.47
KDR P35968 7/20 0.43
PDGFRB P09619 1/20 0.43
FLT1 P17948 1/20 0.43
ACVRL1 P37023 3/20 0.42

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
SCHEMBL5144341 0.92 IKBKE (0.52) RETBCRFGFR1FLT3FRK
SCHEMBL59646 0.92 FLT3 (0.61) RETBCRFGFR1FLT3FRK
SCHEMBL59383 0.89 FLT3 (0.59) RETBCRFGFR1FLT3FRK
SCHEMBL59218 0.86 RET (0.55) RETBCRFGFR1FLT3FRK
SCHEMBL879094 0.86 RET (0.55) RETBCRFGFR1FLT3FRK
SCHEMBL57582 0.85 FLT3 (0.61) RETBCRFGFR1FLT3FRK
SCHEMBL27768047 0.84 FLT3 (0.59) RETBCRFGFR1FLT3FRK
SCHEMBL58030 0.84 RET (0.56) RETBCRFGFR1FLT3FRK
SCHEMBL60192 0.84 FRK (0.53) RETBCRFGFR1FLT3FRK
SCHEMBL59668 0.84 FLT3 (0.58) RETBCRFGFR1FLT3FRK

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 claimed
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 claimed