SCHEMBL15435519

SCHEMBL15435519

CC(F)(F)c1ccnc(NC(=O)Nc2ccc(-c3c(CO)c(CN4CCOCC4)n4ncnc(N)c34)cc2F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.66
FLT3 P36888 4/20 0.66
FGFR1 P11362 2/20 0.66
BCR P11274 1/20 0.66
FRK P42685 1/20 0.66
MAPK9 P45984 1/20 0.66
RPS6KA3 P51812 1/20 0.66
PRKCD Q05655 1/20 0.66
DDR1 Q08345 1/20 0.66
MAP4K2 Q12851 1/20 0.66
TNK1 Q13470 1/20 0.66
RPS6KA1 Q15418 1/20 0.66
MAP3K11 Q16584 1/20 0.66
DDR2 Q16832 1/20 0.66
RPS6KA6 Q9UK32 1/20 0.66
ACVRL1 P37023 7/20 0.46
BTK Q06187 2/20 0.42
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
FGFR3 P22607 1/20 0.38

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
SCHEMBL276539 0.95 RET (0.72) RETFLT3FGFR1BCRFRK
SCHEMBL10290519 0.91 FGFR1 (0.64) RETFLT3FGFR1BCRFRK
SCHEMBL276659 0.90 RET (0.72) RETFLT3FGFR1BCRFRK
SCHEMBL275883 0.89 FGFR1 (0.76) RETFLT3FGFR1BCRFRK
SCHEMBL275119 0.89 FGFR1 (0.84) RETFLT3FGFR1BCRFRK
SCHEMBL276505 0.87 RET (0.69) RETFLT3FGFR1BCRFRK
SCHEMBL276617 0.87 RET (0.68) RETFLT3FGFR1BCRFRK
SCHEMBL275502 0.86 RET (0.67) RETFLT3FGFR1BCRFRK
SCHEMBL275488 0.85 RET (0.66) RETFLT3FGFR1BCRFRK
SCHEMBL276147 0.85 FLT3 (0.58) RETFLT3FGFR1BCRFRK

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-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP disclosed