SCHEMBL20439429

SCHEMBL20439429

COCC(C)(C)/C=C(\C#N)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
POLB P06746 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
SCHEMBL25712271 0.79 CYP2C9 (0.33) CYP2C9
SCHEMBL16646886 0.79 MEN1 (0.31) CYP2C9
SCHEMBL18959027 0.74 MEN1 (0.34)
SCHEMBL18959129 0.71 CYP2C9 (0.38) CYP2C9POLB
SCHEMBL24714668 0.68 MEN1 (0.35) CYP2C9POLB
SCHEMBL11809406 0.66
SCHEMBL11809392 0.66
SCHEMBL11965638 0.66
SCHEMBL15575384 0.66 KDM4E (0.30)
SCHEMBL15575385 0.66 KDM4E (0.30)

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-2018140512-A1 FUSED BICYCLIC BENZOHETEROAROMATIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed
WO-2018140514-A1 1-(6-(3-HYDROXYNAPHTHALEN-1-YL)QUINAZOLIN-2-YL)AZETIDIN-1-YL)PROP-2-EN-1-ONE DERIVATIVES AND SIMILAR COMPOUNDS AS KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2018-08-02 WO disclosed