SCHEMBL21733674

SCHEMBL21733674

CC1=C(C(C)(C)C)c2cn[nH]c2CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.35
CDK2 P24941 7/20 0.35
CCNA1 P78396 7/20 0.35
GRM4 Q14833 4/20 0.33
AKT1 P31749 1/20 0.31
AKT2 P31751 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
SCHEMBL21024008 0.67 PLK1 (0.45)
SCHEMBL6333956 0.62 CCNA2 (0.41) CCNA2CDK2CCNA1GRM4
SCHEMBL9221790 0.60 CCNA2 (0.47) CCNA2CDK2CCNA1
SCHEMBL2377273 0.59 CDK8 (0.46) CCNA2CDK2CCNA1GRM4AKT1
SCHEMBL1395016 0.58 GRM4 (0.41) CCNA2CDK2CCNA1GRM4
SCHEMBL6476656 0.58 GRM4 (0.38) CCNA2CDK2CCNA1GRM4
SCHEMBL9533873 0.58 PLK1 (0.54) CCNA2CDK2CCNA1GRM4
SCHEMBL6837080 0.57 PRKACA (0.36) CCNA2CDK2CCNA1GRM4
SCHEMBL17262729 0.57 CDC7 (0.42) CCNA2CDK2CCNA1AKT1
Water SCHEMBL6036229 0.57 GRM4 (0.40) CCNA2CDK2CCNA1GRM4

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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed