SCHEMBL13303602

SCHEMBL13303602

CN1CCn2nc(Nc3cc(N4CCCCC4)nc4ccnn34)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.48
CDK2 P24941 1/20 0.45

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
SCHEMBL13303488 0.80 DPP4 (0.54) DPP4CDK2
SCHEMBL3263477 0.78 LCK (0.45) DPP4
SCHEMBL3260799 0.76 BTK (0.47) DPP4
SCHEMBL3263368 0.76 DPP4 (0.40) DPP4
SCHEMBL19981572 0.70 BTK (0.44)
SCHEMBL19981933 0.70 BTK (0.44)
SCHEMBL13303603 0.69 SYK (0.48)
SCHEMBL13303496 0.68 DPP4 (0.63) DPP4CDK2
SCHEMBL21946915 0.67 LCK (0.46)
SCHEMBL13118839 0.65 CDK2 (0.77) DPP4CDK2

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-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed