SCHEMBL13288668

SCHEMBL13288668

Bc1cnn2c(NCc3ccc(CNC(=O)c4ccc(Cl)cc4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.55
▸ GSK3B P49841 4/20 0.51
▸ NAMPT P43490 1/20 0.43
▸ CYP1A1 P04798 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PDE2A O00408 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13288768 0.93 CDK2 (0.54) CDK2GSK3BMEN1KMT2ARAB9A
SCHEMBL13288769 0.93 CDK2 (0.55) CDK2GSK3BCYP1A1HPGDPDE2A
SCHEMBL13288882 0.91 CDK2 (0.54) CDK2GSK3BNAMPTPDE2APDE10A
SCHEMBL13119461 0.90 CDK2 (0.70) CDK2GSK3B
SCHEMBL13289698 0.89 CDK2 (0.56) CDK2GSK3BNAMPTMEN1KMT2A
SCHEMBL13289148 0.88 CDK2 (0.52) CDK2GSK3BPDE2APDE10AMEN1
SCHEMBL13288775 0.88 CDK2 (0.52) CDK2GSK3BPDE2APDE10A
SCHEMBL13288866 0.87 CDK2 (0.59) CDK2GSK3BMEN1KMT2ARAB9A
SCHEMBL13289235 0.87 CDK2 (0.45) CDK2GSK3BNAMPTHPGDKMT2A
SCHEMBL13288782 0.86 CDK2 (0.54) CDK2GSK3BHPGDTSHRMEN1

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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