SCHEMBL14543137

SCHEMBL14543137

Nc1cc(C2CCCNC2)nc2c(-c3cnccn3)cnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 1.00
▸ CCNA2 P20248 17/20 1.00
▸ CDK2 P24941 17/20 1.00
▸ CCNA1 P78396 17/20 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
SCHEMBL14543108 0.87 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL14516264 0.87 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930930 0.84 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931337 0.83 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930904 0.82 CCNA2 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231698 0.81 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930771 0.81 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930897 0.80 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930898 0.80 CHEK1 (0.74) CHEK1CCNA2CDK2CCNA1
SCHEMBL11930900 0.80 CHEK1 (0.70) 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 2 patents. 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
WO-2007044441-A2 USE OF PYRAZOLO [1 , 5 -A] PYRIMIDINE DERIVATIVES FOR INHIBITING PROTEIN KINASES METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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