SCHEMBL15435522

SCHEMBL15435522

CC(C)C(=O)c1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(NN)ncnn2c1CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.45
FLT3 P36888 2/20 0.45
BCR P11274 1/20 0.45
FGFR1 P11362 1/20 0.45
FRK P42685 1/20 0.45
MAPK9 P45984 1/20 0.45
RPS6KA3 P51812 1/20 0.45
PRKCD Q05655 1/20 0.45
DDR1 Q08345 1/20 0.45
MAP4K2 Q12851 1/20 0.45
TNK1 Q13470 1/20 0.45
RPS6KA1 Q15418 1/20 0.45
MAP3K11 Q16584 1/20 0.45
DDR2 Q16832 1/20 0.45
RPS6KA6 Q9UK32 1/20 0.45
BTK Q06187 3/20 0.42
IKBKE Q14164 1/20 0.39
KDR P35968 2/20 0.38
KIT P10721 1/20 0.38
TEK Q02763 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
SCHEMBL276568 0.92 FLT3 (0.53) RETFLT3BCRFGFR1FRK
SCHEMBL276123 0.84 FLT3 (0.55) RETFLT3BCRFGFR1FRK
SCHEMBL277188 0.83 FLT3 (0.54) RETFLT3BCRFGFR1FRK
SCHEMBL276857 0.83 FLT3 (0.54) RETFLT3BCRFGFR1FRK
SCHEMBL276561 0.83 FLT3 (0.53) RETFLT3BCRFGFR1FRK
SCHEMBL276626 0.82 FLT3 (0.55) RETFLT3BCRFGFR1FRK
SCHEMBL276362 0.82 FLT3 (0.53) RETFLT3BCRFGFR1FRK
SCHEMBL277598 0.81 FLT3 (0.53) RETFLT3BCRFGFR1FRK
SCHEMBL279493 0.81 FLT3 (0.54) RETFLT3BCRFGFR1FRK
SCHEMBL279523 0.81 FLT3 (0.59) RETFLT3BCRFGFR1FRK

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