SCHEMBL31194355

SCHEMBL31194355

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2A O00443 1/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ AXL P30530 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 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
SCHEMBL21590020 0.91 POLB (0.35) POLB
SCHEMBL31081648 0.86 ALDH1A1 (0.37) PIK3C2APIK3C2BPIK3CAMTORMAP4K1
SCHEMBL25886049 0.86 ALDH1A1 (0.37) PIK3C2APIK3C2BPIK3CAMTORMAP4K1
SCHEMBL21589986 0.85 CYP1A2 (0.36) POLBCYP1A2ALDH1A1
SCHEMBL20267583 0.85 POLB (0.42) POLBCYP1A2
SCHEMBL30122217 0.85 POLB (0.42) POLBCYP1A2
SCHEMBL31194333 0.84 PIK3C2A (0.36) PIK3C2APIK3C2BPIK3CAMTORMAP4K1
SCHEMBL20628414 0.83 POLB (0.40) POLBCYP1A2
SCHEMBL30989642 0.83 MAP4K4 (0.36) PIK3C2APIK3C2BPIK3CAMTORMAP4K1
SCHEMBL25894966 0.83 MAP4K4 (0.36) PIK3C2APIK3C2BPIK3CAMTORMAP4K1

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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