SCHEMBL31081648

SCHEMBL31081648

CCS(=O)(=O)c1cc(-c2ccc(C3(C#N)CC3)cc2)cnc1-c1nc2cc(C(C)(F)F)cnc2n1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PIK3C2A O00443 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.34
▸ AXL P30530 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31

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
SCHEMBL25886049 1.00 ALDH1A1 (0.37) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25885735 0.94 ALDH1A1 (0.36) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL31081644 0.94 ALDH1A1 (0.36) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25886035 0.92 PIK3C2A (0.35) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL30989762 0.92 PIK3C2A (0.35) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL25886064 0.89 ALDH1A1 (0.36) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL31081543 0.89 POLB (0.33) POLB
SCHEMBL25886045 0.89 POLB (0.33) POLB
SCHEMBL25318005 0.88 ALDH1A1 (0.36) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA
SCHEMBL31194355 0.86 PIK3C2A (0.35) ALDH1A1KCNH2PIK3C2APIK3C2BPIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175558-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYL-SULFONE/SULFOXIMINE-PYRIDINE N-OXIDE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-08-29 — — WO disclosed
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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