SCHEMBL13146276

SCHEMBL13146276

Bc1cnn2c(NCc3ccnnc3)cc(-c3ccccc3F)nc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.64
▸ GSK3B P49841 10/20 0.61
▸ CCNA2 P20248 1/20 0.53
▸ CCNA1 P78396 1/20 0.53
▸ CCNE1 P24864 1/20 0.42
▸ GPR39 O43194 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
SCHEMBL13304765 0.91 CDK2 (0.77) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12952873 0.88 CDK2 (0.83) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13146486 0.88 CDK2 (0.79) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13304785 0.85 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13305604 0.84 GSK3B (0.59) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13305161 0.82 GSK3B (0.56) CDK2GSK3BCCNA2CCNA1GPR39
SCHEMBL12953665 0.82 GSK3B (0.63) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14043290 0.81 GSK3B (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14050973 0.81 GSK3B (0.62) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14050780 0.81 GSK3B (0.60) CDK2GSK3BCCNA2CCNA1CCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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