SCHEMBL13305418

SCHEMBL13305418

Cc1cnn2c(NCc3ccc(N)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.63
▸ GSK3B P49841 7/20 0.57
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ GPR39 O43194 1/20 0.44
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL13289158 0.92 CDK2 (0.63) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13304831 0.90 CDK2 (0.58) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305297 0.90 CDK2 (0.77) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL14043231 0.89 GSK3B (0.50) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL12953026 0.88 CDK2 (0.81) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13305196 0.88 CDK2 (0.63) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305319 0.87 CDK2 (0.60) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL12953920 0.85 CDK2 (0.60) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305311 0.85 GSK3B (0.79) CDK2GSK3BCCNE1
SCHEMBL14545901 0.83 CDK2 (0.55) 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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