SCHEMBL20174133

SCHEMBL20174133

CNc1cccc(Nc2nc(C)nc(Nc3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 6/20 0.63
APP P05067 3/20 0.56
KCNH3 Q9ULD8 1/20 0.53
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CRHR1 P34998 2/20 0.46
AURKA O14965 2/20 0.45
EGFR P00533 1/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
LRRK2 Q5S007 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL12530962 0.88 APP (0.61) IDH2APPKCNH3LMNAMAPT
SCHEMBL20174132 0.84 GAA (0.54) IDH2KCNH3LMNAMAPTMAPK1
SCHEMBL4544825 0.83 APP (0.65) IDH2APPKCNH3LMNAMAPT
SCHEMBL10119658 0.82 IDH2 (0.50) IDH2KCNH3LMNAAURKA
SCHEMBL30568833 0.78 IDH2 (1.00) IDH2APPLMNAMAPTMAPK1
SCHEMBL16312221 0.77 GAA (0.61) IDH2KCNH3LMNAMAPTMAPK1
SCHEMBL28455381 0.77 IDH2 (0.91) IDH2APPLMNAMAPTMAPK1
SCHEMBL6033627 0.76 APP (0.59) APPKCNH3LMNAMAPTMAPK1
SCHEMBL4569978 0.74 LMNA (0.71) IDH2KCNH3LMNAMAPTMAPK1
SCHEMBL13771505 0.74 APP (0.76) IDH2APPLMNAMAPTMAPK1

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
US-20180142064-A1 TRIAZINE RING-CONTAINING POLYMER, AND COMPOSITION FOR FILM FORMATION USE CONTAINING SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-24 US disclosed