SCHEMBL31194333

SCHEMBL31194333

CCSc1cc(-c2ccc(C3(C#N)CC3)cc2)cnc1-c1nc2cc(C(C)=O)cnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2A O00443 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ ALDH1A1 P00352 14/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MAP4K4 O95819 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL31081542 0.86 ALDH1A1 (0.38) PIK3C2APIK3C2BPIK3CAMTORALDH1A1
SCHEMBL31194355 0.84 PIK3C2A (0.35) PIK3C2APIK3C2BPIK3CAMTORALDH1A1
SCHEMBL25894966 0.83 MAP4K4 (0.36) PIK3C2APIK3C2BPIK3CAMTORALDH1A1
SCHEMBL30989642 0.83 MAP4K4 (0.36) PIK3C2APIK3C2BPIK3CAMTORALDH1A1
SCHEMBL25887409 0.78 ALDH1A1 (0.39) PIK3C2APIK3C2BPIK3CAMTORALDH1A1
SCHEMBL25887044 0.78 PIK3C2A (0.34) PIK3C2APIK3C2BPIK3CAMTORALDH1A1
SCHEMBL31194374 0.76 KIT (0.33) —
SCHEMBL25886981 0.75 PIK3C2A (0.38) PIK3C2APIK3C2BPIK3CAMTORMAP4K1
SCHEMBL30122217 0.75 POLB (0.42) —
SCHEMBL20628414 0.75 POLB (0.40) —

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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