SCHEMBL5079687

SCHEMBL5079687

Nc1ncnn2c(CN3CCOCC3)c(CCO)c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.57
FGFR1 P11362 2/20 0.57
MAPK9 P45984 2/20 0.57
RPS6KA3 P51812 2/20 0.57
RET P07949 1/20 0.57
BCR P11274 1/20 0.57
FRK P42685 1/20 0.57
PRKCD Q05655 1/20 0.57
DDR1 Q08345 1/20 0.57
MAP4K2 Q12851 1/20 0.57
TNK1 Q13470 1/20 0.57
RPS6KA1 Q15418 1/20 0.57
MAP3K11 Q16584 1/20 0.57
DDR2 Q16832 1/20 0.57
RPS6KA6 Q9UK32 1/20 0.57
BTK Q06187 7/20 0.48
IKBKE Q14164 1/20 0.43
KIT P10721 2/20 0.42
KDR P35968 2/20 0.42
TEK Q02763 1/20 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
SCHEMBL276147 0.94 FLT3 (0.58) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL279523 0.92 FLT3 (0.59) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL275769 0.91 FLT3 (0.56) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL276751 0.91 FGFR1 (0.70) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL276626 0.90 FLT3 (0.55) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL276362 0.89 FLT3 (0.53) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL276123 0.89 FLT3 (0.55) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL275166 0.88 FLT3 (0.53) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL279493 0.88 FLT3 (0.54) FLT3FGFR1MAPK9RPS6KA3RET
SCHEMBL277188 0.88 FLT3 (0.54) FLT3FGFR1MAPK9RPS6KA3RET

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-1957077-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 disclosed
WO-2007064883-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 disclosed