SCHEMBL14686302

SCHEMBL14686302

Nc1ncnn2c(C3CCN(C(=O)O)CC3)cc(-c3cc(F)c(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3F)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 18/20 0.49
RET P07949 2/20 0.45
FGFR1 P11362 2/20 0.45
FLT3 P36888 2/20 0.45
FRK P42685 2/20 0.45
MAPK9 P45984 2/20 0.45
RPS6KA3 P51812 2/20 0.45
MAP4K2 Q12851 2/20 0.45
BCR P11274 1/20 0.45
PRKCD Q05655 1/20 0.45
DDR1 Q08345 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
ACVRL1 P37023 1/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 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
SCHEMBL60193 0.92 TYRO3 (0.46) TYRO3RETFGFR1FLT3FRK
SCHEMBL5036616 0.91 RET (0.52) TYRO3RETFGFR1FLT3FRK
SCHEMBL59474 0.91 RET (0.45) TYRO3RETFGFR1FLT3FRK
SCHEMBL59179 0.90 RET (0.47) TYRO3RETFGFR1FLT3FRK
SCHEMBL58990 0.90 TYRO3 (0.49) TYRO3RETFGFR1FLT3FRK
SCHEMBL28776688 0.90 TYRO3 (0.54) TYRO3RETFGFR1FLT3FRK
SCHEMBL58989 0.89 RET (0.43) TYRO3RETFGFR1FLT3FRK
SCHEMBL59311 0.89 TYRO3 (0.52) TYRO3RETFGFR1FLT3FRK
SCHEMBL27768250 0.88 TYRO3 (0.46) TYRO3RETFGFR1FLT3FRK
SCHEMBL5031566 0.87 FGFR1 (0.51) TYRO3RETFGFR1FLT3FRK

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 claimed