SCHEMBL13288902

SCHEMBL13288902

Bc1cnn2c(NCCNC(=O)c3ccc(C4CCCCC4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.41
▸ GSK3B P49841 4/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ SERPINE1 P05121 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ GCGR P47871 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ DEGS1 O15121 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL13120296 0.91 CDK2 (0.53) CDK2GSK3BEGLN1
SCHEMBL13120161 0.86 CDK2 (0.51) CDK2GSK3B
SCHEMBL14545262 0.86 CDK2 (0.45) CDK2GSK3B
SCHEMBL13288754 0.86 CDK2 (0.45) CDK2GSK3BNAMPT
SCHEMBL13289132 0.86 SIRT2 (0.45) CDK2GSK3BNAMPT
SCHEMBL14545970 0.84 GSK3B (0.45) CDK2GSK3B
SCHEMBL13288895 0.84 GSK3B (0.43) CDK2GSK3BMAPK1
SCHEMBL13288867 0.83 CDK2 (0.47) CDK2GSK3B
SCHEMBL13289235 0.82 CDK2 (0.45) CDK2GSK3BNAMPT
SCHEMBL14545832 0.82 CDK2 (0.48) CDK2GSK3BMAPK1

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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