SCHEMBL13305690

SCHEMBL13305690

C=C(Cc1ccccc1)Nc1cccc(CNc2cc(-c3ccccc3Cl)nc3c(C)cnn23)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.53
▸ GSK3B P49841 10/20 0.53
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CCNE1 P24864 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
SCHEMBL13305692 0.87 CDK2 (0.48) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL14607199 0.85 CDK2 (0.51) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL14607200 0.85 CDK2 (0.49) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13289337 0.84 GSK3B (0.50) CDK2GSK3B
SCHEMBL14607101 0.84 GSK3B (0.50) CDK2GSK3B
SCHEMBL13305578 0.84 GSK3B (0.47) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305611 0.84 CDK2 (0.48) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305596 0.83 CDK2 (0.46) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL14545879 0.82 CDK2 (0.54) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL12953813 0.82 CDK2 (0.65) CDK2GSK3BMEN1KMT2ACCNA2

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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