SCHEMBL14700078

SCHEMBL14700078

Nc1ncnn2c(CN3CC[SiH2]CC3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4Cl)c(F)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.52
RET P07949 1/20 0.52
BCR P11274 1/20 0.52
FGFR1 P11362 1/20 0.52
FRK P42685 1/20 0.52
MAPK9 P45984 1/20 0.52
RPS6KA3 P51812 1/20 0.52
PRKCD Q05655 1/20 0.52
DDR1 Q08345 1/20 0.52
MAP4K2 Q12851 1/20 0.52
TNK1 Q13470 1/20 0.52
RPS6KA1 Q15418 1/20 0.52
MAP3K11 Q16584 1/20 0.52
DDR2 Q16832 1/20 0.52
RPS6KA6 Q9UK32 1/20 0.52
ACVRL1 P37023 9/20 0.46
RIPK1 Q13546 3/20 0.43
FLT1 P17948 3/20 0.43
TEK Q02763 2/20 0.43
NTRK1 P04629 2/20 0.40

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
SCHEMBL58602 0.92 RET (0.61) FLT3RETBCRFGFR1FRK
SCHEMBL58597 0.91 FLT3 (0.51) FLT3RETBCRFGFR1FRK
SCHEMBL58596 0.91 FLT3 (0.51) FLT3RETBCRFGFR1FRK
SCHEMBL59385 0.89 RET (0.59) FLT3RETBCRFGFR1FRK
SCHEMBL58929 0.87 FLT3 (0.48) FLT3RETBCRFGFR1FRK
SCHEMBL59660 0.85 FLT3 (0.69) FLT3RETBCRFGFR1FRK
SCHEMBL59667 0.84 FGFR1 (0.58) FLT3RETBCRFGFR1FRK
SCHEMBL14686157 0.84 FLT3 (0.58) FLT3RETBCRFGFR1FRK
SCHEMBL57965 0.84 FLT3 (0.59) FLT3RETBCRFGFR1FRK
SCHEMBL59666 0.84 FGFR1 (0.58) FLT3RETBCRFGFR1FRK

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
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed