SCHEMBL14700086

SCHEMBL14700086

CN(C)C(=O)N1CCC(c2cc(-c3ccc(NC(=O)N(N)c4cc(C(F)(F)F)ccc4F)c(F)c3)c3c(N)ncnn23)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 9/20 0.48
MERTK Q12866 7/20 0.45
AXL P30530 2/20 0.42
RET P07949 1/20 0.41
BCR P11274 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT3 P36888 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKCD Q05655 1/20 0.41
DDR1 Q08345 1/20 0.41
MAP4K2 Q12851 1/20 0.41
TNK1 Q13470 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
MAP3K11 Q16584 1/20 0.41
DDR2 Q16832 1/20 0.41
RPS6KA6 Q9UK32 1/20 0.41
ACVRL1 P37023 3/20 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
SCHEMBL60066 0.90 RET (0.52) TYRO3MERTKAXLRETBCR
SCHEMBL65796 0.85 TYRO3 (0.54) TYRO3MERTKAXLRETBCR
SCHEMBL59657 0.83 RET (0.52) TYRO3MERTKAXLRETBCR
SCHEMBL5031566 0.81 FGFR1 (0.51) TYRO3MERTKAXLRETBCR
SCHEMBL58177 0.80 RET (0.51) TYRO3MERTKAXLRETBCR
SCHEMBL57701 0.79 RIPK1 (0.51) TYRO3MERTKAXLRETBCR
SCHEMBL59352 0.79 TYRO3 (0.61) TYRO3MERTKAXLRETFGFR1
SCHEMBL5036616 0.78 RET (0.52) TYRO3MERTKAXLRETBCR
SCHEMBL59086 0.78 TYRO3 (0.47) TYRO3MERTKAXLRETBCR
SCHEMBL57710 0.78 RET (0.52) TYRO3MERTKAXLRETBCR

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