SCHEMBL17255286

SCHEMBL17255286

CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C)c4)cc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.52
AURKB Q96GD4 4/20 0.52
NTRK1 P04629 2/20 0.52
YES1 P07947 2/20 0.52
ABL1 P00519 1/20 0.52
PIM1 P11309 1/20 0.46
FGFR3 P22607 12/20 0.46
FGFR2 P21802 10/20 0.46
FGFR4 P22455 10/20 0.46
FGFR1 P11362 9/20 0.46
KDR P35968 7/20 0.43
MAPK14 Q16539 1/20 0.43
MET P08581 2/20 0.41
MST1R Q04912 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL17247735 0.90 MAPK1 (0.48) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17247754 0.89 MAPK1 (0.51) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17247746 0.89 MAPK14 (0.42) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17247601 0.89 FGFR2 (0.43) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17247880 0.88 MAPK1 (0.46) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17239939 0.88 MAPK1 (0.46) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17240068 0.87 MAPK1 (0.53) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL15884770 0.87 MET (0.40) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17239931 0.87 MAPK1 (0.39) MAPK1AURKBNTRK1YES1ABL1
SCHEMBL17255457 0.87 AURKB (0.43) MAPK1AURKBNTRK1YES1ABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed