SCHEMBL31750869

SCHEMBL31750869

COc1cc(C#CC(O)c2ccc(F)cc2)ncn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.37
▸ ALOX5 P09917 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ APLNR P35414 2/20 0.32
▸ ERBB3 P21860 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ ELOVL1 Q9BW60 1/20 0.32
▸ RPS6KB1 P23443 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ DYRK1A Q13627 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
SCHEMBL31751666 0.80 ELOVL1 (0.40) ACACBKMT2AFFAR1ELOVL1
SCHEMBL31751133 0.78 ACACB (0.36) ACACBKMT2A
SCHEMBL3924311 0.73 APP (0.46) ACACBALOX5KMT2AFFAR1
SCHEMBL31750774 0.70 KMT2A (0.40) KRASSOS1KMT2APTGDR2PDE10A
SCHEMBL20865650 0.67 ACHE (0.45) ALOX5KMT2A
SCHEMBL31546704 0.66 CYP2C19 (0.39) ACACB
SCHEMBL31546684 0.66 CYP2C19 (0.39) ACACB
SCHEMBL12825874 0.65 KDR (0.47) KMT2AEGFRERBB3
SCHEMBL2800138 0.65 ALOX5 (0.40) ALOX5KMT2AFFAR1
SCHEMBL31750819 0.64 ELOVL1 (0.44) ACACBKMT2AEGFRELOVL1

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-2025264954-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-12-26 — — WO disclosed
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