SCHEMBL16784482

SCHEMBL16784482

COc1cc(C2CCCNC2)nc2c(-c3coc(C=O)c3)cnn12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.54
▸ CCNA2 P20248 10/20 0.52
▸ CDK2 P24941 10/20 0.52
▸ CCNA1 P78396 10/20 0.52

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
SCHEMBL16784500 0.83 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542883 0.81 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542920 0.79 CHEK1 (0.69) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931630 0.79 PIK3CA (0.37) —
SCHEMBL11930965 0.77 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542703 0.77 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL14543105 0.76 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14543108 0.76 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542953 0.76 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1
SCHEMBL17826802 0.76 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1

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
EP-1942900-B1 USE OF PYRAZOLO [1,5-A] PYRIMIDINE DERIVATIVES FOR INHIBITING KINASES METHODS FOR INHIBITING PROTEIN KINASES MERCK SHARP & DOHME (US) 2015-06-03 — — EP disclosed
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