SCHEMBL13288665

SCHEMBL13288665

Bc1cnn2c(NCc3cccc(NC(=O)c4cccc(C#N)c4)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ RORC P51449 1/20 0.44
▸ ROCK2 O75116 1/20 0.40
▸ BRAF P15056 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ HPSE Q9Y251 1/20 0.39
▸ VNN1 O95497 5/20 0.39
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL13288663 0.93 CDK2 (0.47) CDK2GSK3BMAPTACKR3
SCHEMBL13119677 0.92 CDK2 (0.57) CDK2GSK3BRORC
SCHEMBL13289323 0.92 CDK2 (0.48) CDK2GSK3BROCK2MAPTEPAS1
SCHEMBL13288880 0.88 CDK2 (0.44) CDK2GSK3BROCK2BRAFMAPT
SCHEMBL13288759 0.88 CDK2 (0.46) CDK2GSK3BMAPT
SCHEMBL13289326 0.88 CDK2 (0.47) CDK2GSK3BROCK2MAPT
SCHEMBL13288878 0.88 CDK2 (0.49) CDK2GSK3BACKR3
SCHEMBL13288889 0.87 GSK3B (0.47) CDK2GSK3BMAPT
SCHEMBL13288642 0.86 CDK2 (0.49) CDK2GSK3B
SCHEMBL13288729 0.86 CDK2 (0.51) CDK2GSK3B

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
Send feedback