SCHEMBL14218615

SCHEMBL14218615

Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cn[nH]c4)cnn23)on1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.61
▸ CCNA2 P20248 3/20 0.55
▸ CDK2 P24941 3/20 0.55
▸ CCNA1 P78396 3/20 0.55

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
SCHEMBL14218611 0.88 CHEK1 (0.77) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931087 0.88 CHEK1 (0.79) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231853 0.84 CHEK1 (0.61) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218612 0.84 CHEK1 (0.59) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218885 0.82 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231852 0.82 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL14232210 0.82 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218614 0.82 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL14231851 0.82 CHEK1 (0.72) CHEK1CCNA2CDK2CCNA1
SCHEMBL13845498 0.81 CHEK1 (0.78) 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
WO-2008045266-A2 PYRAZOLOPYRIMIDIWES AS CYCLIN DEPENDENT KINASE INHIBITOR SCHERING CORPORATION (US) 2008-04-17 — — WO disclosed
Send feedback