SCHEMBL13288648

SCHEMBL13288648

Bc1cnn2c(NCc3ccc(CNC(=O)c4ccccc4OC)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.51
▸ GSK3B P49841 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 4/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ PDE5A O76074 2/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13288715 0.91 ALDH1A1 (0.51) CDK2GSK3BMEN1KMT2AHPGD
SCHEMBL13119451 0.90 CDK2 (0.65) CDK2GSK3BPOLBMEN1KMT2A
SCHEMBL14545834 0.89 GSK3B (0.44) CDK2GSK3BPOLBMEN1KMT2A
SCHEMBL13288948 0.88 BRD4 (0.45) CDK2GSK3BMEN1KMT2AALDH1A1
SCHEMBL13288652 0.87 CDK2 (0.51) CDK2GSK3BMEN1KMT2AHPGD
SCHEMBL13288676 0.86 CDK2 (0.49) CDK2GSK3BPOLBMEN1KMT2A
SCHEMBL13119330 0.86 CDK2 (0.61) CDK2GSK3BPOLBMEN1KMT2A
SCHEMBL13288866 0.85 CDK2 (0.59) CDK2GSK3BMEN1KMT2ARAB9A
SCHEMBL13288769 0.84 CDK2 (0.55) CDK2GSK3BMEN1KMT2AHPGD
SCHEMBL13288668 0.84 CDK2 (0.55) CDK2GSK3BMEN1KMT2AHPGD

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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