SCHEMBL13288867

SCHEMBL13288867

Bc1cnn2c(NCCNC(=O)C3CC3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.47
▸ ABL1 P00519 10/20 0.45
▸ GSK3B P49841 4/20 0.45
▸ VCP P55072 1/20 0.39
▸ TSHR P16473 1/20 0.37

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
SCHEMBL14545262 0.95 CDK2 (0.45) CDK2ABL1GSK3BTSHR
SCHEMBL12954447 0.94 CDK2 (0.46) CDK2ABL1GSK3BVCP
SCHEMBL13288683 0.94 CDK2 (0.46) CDK2ABL1GSK3BVCPTSHR
SCHEMBL13288877 0.92 CDK2 (0.45) CDK2ABL1GSK3B
SCHEMBL13288826 0.91 CDK2 (0.44) CDK2ABL1GSK3BTSHR
SCHEMBL13120202 0.89 CDK2 (0.61) CDK2ABL1GSK3B
SCHEMBL13288970 0.88 CDK2 (0.45) CDK2ABL1GSK3BVCP
SCHEMBL13289277 0.87 CDK2 (0.42) CDK2ABL1GSK3BVCP
SCHEMBL14301237 0.87 CDK2 (0.43) CDK2GSK3B
SCHEMBL13289218 0.87 CDK2 (0.44) CDK2ABL1GSK3B

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-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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