SCHEMBL31194282

SCHEMBL31194282

CC(C)(C)OC(=O)n1ccc2ncc(C(C)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ BUB1 O43683 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PIK3CD O00329 2/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ EGFR P00533 2/20 0.36
▸ HCK P08631 2/20 0.36
▸ SRC P12931 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ PIK3CG P48736 2/20 0.36
▸ EPHB4 P54760 2/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ PI4KB Q9UBF8 2/20 0.36
▸ MET P08581 3/20 0.36

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
SCHEMBL20483115 0.82 KDM4E (0.39) GABRG2GABRB3GABRA5BUB1KDM4E
SCHEMBL25909811 0.82 HSP90AA1 (0.41) GABRG2GABRB3GABRA5BUB1KDM4E
SCHEMBL25229548 0.81 ALDH1A1 (0.41) GABRG2GABRB3GABRA5BUB1KDM4E
SCHEMBL31194316 0.81 MET (0.43) GABRG2GABRB3GABRA5BUB1KDM4E
SCHEMBL27361311 0.79 MET (0.46) GABRG2GABRB3GABRA5BUB1KDM4E
SCHEMBL29650289 0.78 MET (0.39) GABRG2GABRB3GABRA5BUB1KDM4E
SCHEMBL19707129 0.78 MET (0.39) GABRG2GABRB3GABRA5BUB1KDM4E
SCHEMBL28523293 0.76 GRIN2B (0.61) GRIN2BGRIN1
SCHEMBL759396 0.74 SLC22A12 (0.48) BUB1KDM4EALDH1A1PIK3CDABL1
SCHEMBL29962730 0.74 SLC22A12 (0.48) BUB1KDM4EALDH1A1PIK3CDABL1

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
WO-2024175557-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYL-SULFOXIME-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-08-29 — — WO disclosed
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