SCHEMBL14543203

SCHEMBL14543203

CCn1nccc1Nc1cc(C2CCCN(C)C2)nc2c(-c3cn[nH]c3)cnn12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.61
▸ CCNA2 P20248 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNA1 P78396 3/20 0.39
▸ HTR1A P08908 1/20 0.34

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
SCHEMBL13845498 0.86 CHEK1 (0.78) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218607 0.86 CHEK1 (0.53) CHEK1
SCHEMBL11931602 0.78 CHEK1 (0.69) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931586 0.76 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931089 0.76 CHEK1 (1.00) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218632 0.72 CHEK1 (0.45) CHEK1
SCHEMBL14232209 0.71 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218885 0.71 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1
SCHEMBL14232210 0.70 CHEK1 (0.75) CHEK1CCNA2CDK2CCNA1
SCHEMBL14218630 0.70 PIK3CA (0.41) 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-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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