SCHEMBL14543038

SCHEMBL14543038

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCCNC2)nc2c(C=O)cnn12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 18/20 0.48
▸ CCNA2 P20248 11/20 0.48
▸ CDK2 P24941 11/20 0.48
▸ CCNA1 P78396 11/20 0.48

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
SCHEMBL14542944 0.88 CHEK1 (0.60) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542799 0.87 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1
SCHEMBL16784466 0.87 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542884 0.85 CHEK1 (0.58) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542880 0.83 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931318 0.82 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931319 0.81 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931316 0.81 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931315 0.81 CHEK1 (0.61) CHEK1CCNA2CDK2CCNA1
SCHEMBL14542946 0.81 CHEK1 (0.49) 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
Send feedback