SCHEMBL14700087

SCHEMBL14700087

CN(C)CC(=O)N1CCC(c2cc(-c3ccc(N(C)C(=O)Nc4cc(C(F)(F)F)ccc4F)c(Cl)c3)c3c(N)ncnn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 10/20 0.43
MERTK Q12866 9/20 0.43
AXL P30530 2/20 0.43
ACVRL1 P37023 2/20 0.41

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
SCHEMBL58983 0.91 RET (0.46) TYRO3MERTKAXLACVRL1
SCHEMBL59327 0.83 RET (0.46) TYRO3MERTKAXLACVRL1
SCHEMBL66922 0.82 RET (0.45) TYRO3MERTKAXLACVRL1
SCHEMBL58840 0.82 TYRO3 (0.52) TYRO3MERTKAXLACVRL1
Hydrochloric Acid SCHEMBL58938 0.82 RET (0.45) TYRO3MERTKAXLACVRL1
SCHEMBL27768250 0.81 TYRO3 (0.46) TYRO3MERTKAXLACVRL1
SCHEMBL59020 0.80 TYRO3 (0.51) TYRO3MERTKAXL
SCHEMBL58402 0.80 RET (0.45) TYRO3MERTKAXLACVRL1
SCHEMBL58916 0.80 RET (0.52) TYRO3MERTKAXLACVRL1
SCHEMBL58193 0.80 RET (0.52) TYRO3MERTKAXLACVRL1

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