SCHEMBL16784468

SCHEMBL16784468

Nc1cc(C2CCCNC2)nc2ccnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 1.00
▸ CCNA2 P20248 16/20 1.00
▸ CDK2 P24941 16/20 1.00
▸ CCNA1 P78396 16/20 1.00

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
SCHEMBL30757838 1.00 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784469 0.84 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413740 0.84 CHEK1 (0.73) CHEK1CCNA2CDK2CCNA1
SCHEMBL14413738 0.84 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL14050869 0.82 CHEK1 (0.70) CHEK1CCNA2CDK2CCNA1
SCHEMBL7846641 0.81 CHEK1 (0.68) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784486 0.77 CHEK1 (0.76) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930867 0.76 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11938368 0.76 CHEK1 (0.74) CHEK1CCNA2CDK2CCNA1
SCHEMBL594923 0.75 CHEK1 (0.60) 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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