SCHEMBL5144341

SCHEMBL5144341

O=C(Nc1ccc(-c2cc(CN3CCOCC3)n3ncnc([AsH2])c23)c(F)c1)Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.52
FLT3 P36888 3/20 0.50
RET P07949 2/20 0.50
FGFR1 P11362 2/20 0.50
FRK P42685 2/20 0.50
MAPK9 P45984 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAP4K2 Q12851 2/20 0.50
BCR P11274 1/20 0.50
PRKCD Q05655 1/20 0.50
DDR1 Q08345 1/20 0.50
TNK1 Q13470 1/20 0.50
RPS6KA1 Q15418 1/20 0.50
MAP3K11 Q16584 1/20 0.50
DDR2 Q16832 1/20 0.50
RPS6KA6 Q9UK32 1/20 0.50
KDR P35968 8/20 0.47
RAF1 P04049 2/20 0.47
BRAF P15056 2/20 0.47
EPHX2 P34913 6/20 0.45

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
SCHEMBL59668 0.92 FLT3 (0.58) IKBKEFLT3RETFGFR1FRK
SCHEMBL5157669 0.92 RET (0.53) IKBKEFLT3RETFGFR1FRK
SCHEMBL57858 0.86 FLT3 (0.57) IKBKEFLT3RETFGFR1FRK
SCHEMBL59289 0.84 FLT3 (0.61) IKBKEFLT3RETFGFR1FRK
SCHEMBL58646 0.84 IKBKE (0.63) IKBKEFLT3RETFGFR1FRK
SCHEMBL59646 0.84 FLT3 (0.61) IKBKEFLT3RETFGFR1FRK
SCHEMBL58577 0.83 ERN1 (0.55) IKBKEFLT3RETFGFR1FRK
SCHEMBL64952 0.82 ACVRL1 (0.51) IKBKEFLT3RETFGFR1FRK
SCHEMBL57821 0.81 IKBKE (0.60) IKBKEFLT3RETFGFR1FRK
SCHEMBL59383 0.81 FLT3 (0.59) IKBKEFLT3RETFGFR1FRK

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