SCHEMBL14050772

SCHEMBL14050772

CCC(C)c1cc(NCC2=CC=CN(C)C2)n2ncc(Br)c2n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.49
▸ GSK3B P49841 13/20 0.46

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
SCHEMBL14043386 0.77 GSK3B (0.60) CDK2GSK3B
SCHEMBL14545201 0.69 CDK2 (0.43) CDK2GSK3B
SCHEMBL12953562 0.68 CDK2 (0.43) CDK2GSK3B
SCHEMBL13118130 0.63 CDK2 (0.69) CDK2GSK3B
SCHEMBL12953996 0.63 GSK3B (1.00) CDK2GSK3B
SCHEMBL14545802 0.63 CDK2 (0.51) CDK2GSK3B
SCHEMBL15381337 0.62 GSK3B (0.71) CDK2GSK3B
SCHEMBL12953193 0.62 GSK3B (1.00) CDK2GSK3B
SCHEMBL14050847 0.62 GSK3B (0.74) CDK2GSK3B
SCHEMBL13305163 0.61 GSK3B (0.75) 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
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
Send feedback