SCHEMBL13304789

SCHEMBL13304789

Bc1cnn2c(NCc3ccc4[nH]c(C)nc4c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.52
▸ GSK3B P49841 8/20 0.50
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GPR39 O43194 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 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
SCHEMBL12953180 0.90 GSK3B (0.54) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL12953818 0.90 CDK2 (0.67) CDK2GSK3BCCNA2CCNA1
SCHEMBL13304820 0.85 CDK2 (0.53) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13289612 0.81 CDK2 (0.60) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305196 0.81 CDK2 (0.63) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13288866 0.79 CDK2 (0.59) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL12953814 0.79 GSK3B (0.69) CDK2GSK3BCCNA2CCNA1
SCHEMBL13305391 0.79 CDK2 (0.58) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13304818 0.79 CDK2 (0.58) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13304911 0.78 CDK2 (0.51) CDK2GSK3BMEN1KMT2ANPC1

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-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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