SCHEMBL14545871

SCHEMBL14545871

Cc1cnn2c(Cl)cc(CC(C)(C)C)nc12

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GRM2 Q14416 1/20 0.31

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
SCHEMBL14582600 0.84 GSK3B (0.39) KDM4EALDH1A1MAPTRAB9A
SCHEMBL13288471 0.80 KDM4E (0.47) KDM4EALDH1A1MAPTRAB9A
SCHEMBL14528821 0.80 CSNK2B (0.36) KDM4EALDH1A1MAPTRAB9A
SCHEMBL12953369 0.77 KDM4E (0.49) KDM4EALDH1A1MAPTRAB9A
SCHEMBL26871183 0.77 KDM4E (0.36) KDM4EALDH1A1MAPTRAB9AGRM2
SCHEMBL13911663 0.76
SCHEMBL26871001 0.75 KDM4E (0.35) KDM4EALDH1A1MAPTRAB9A
SCHEMBL13650606 0.75 ALDH1A1 (0.44) KDM4EALDH1A1MAPTRAB9A
SCHEMBL19455177 0.75 MAPT (0.59) KDM4EALDH1A1MAPTRAB9A
SCHEMBL26871180 0.74 KCNH2 (0.36) KDM4EALDH1A1MAPTRAB9AGRM2

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-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed