SCHEMBL251083

SCHEMBL251083

CC(c1cc(NC(=O)C2CC2)c2nccn2n1)c1nnc2ccc(-c3ccc(F)cc3)cn12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 8/20 0.37
CSNK1E P49674 8/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC3 O15379 3/20 0.36
MAPK14 Q16539 3/20 0.35
GSK3B P49841 3/20 0.35
RIPK1 Q13546 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL253289 0.93 MAPK14 (0.40) CSNK1DCSNK1EMAPK14GSK3BRIPK1
SCHEMBL252762 0.91 JAK1 (0.39) GSK3BSYK
SCHEMBL251824 0.90 BRD4 (0.34) MAPK14GSK3B
SCHEMBL253184 0.90 EGLN2 (0.38) GSK3B
SCHEMBL252741 0.89 GSK3B (0.45) GSK3B
SCHEMBL250931 0.89 EGLN2 (0.42)
SCHEMBL251899 0.89 ABL1 (0.36)
SCHEMBL252389 0.88 DYRK1A (0.41) GSK3B
SCHEMBL252805 0.87 KDM4E (0.40) SYK
SCHEMBL252772 0.87 GRK5 (0.38) MAPK14GSK3BSYK

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
EP-2588107-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET Takeda Pharmaceutical Company Limited (JP) 2013-05-08 EP disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed