SCHEMBL9854258

SCHEMBL9854258

CC(Cc1nc2cccnc2[nH]1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.38
PDE1C Q14123 1/20 0.38
MAPK1 P28482 2/20 0.33
ALPL P05186 1/20 0.33
PARP1 P09874 2/20 0.32
PARP3 Q9Y6F1 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TP53 P04637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
PIN1 Q13526 1/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
PDE10A Q9Y233 3/20 0.31
DDAH1 O94760 1/20 0.31
NPC1 O15118 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 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
SCHEMBL12088954 0.83 KDM4E (0.44) MAPK1ALPLPARP1PARP3KDM4E
SCHEMBL4047107 0.78 PDE9A (0.35) PDE9APDE1C
SCHEMBL13905292 0.78 PDE9A (0.35) PDE9APDE1C
SCHEMBL4124888 0.78 DDAH1 (0.56) MAPK1ALPLKDM4ETP53MAPT
SCHEMBL4361327 0.75 DDAH1 (0.55) MAPK1KDM4ETP53ALDH1A1MAPT
SCHEMBL31661032 0.75 GRM4 (0.34) KDM4EALDH1A1LMNA
SCHEMBL31660973 0.75 CYP1A2 (0.37) MAPK1PARP1TP53MAPTPDE10A
SCHEMBL7002587 0.74 GAA (0.42) MAPK1TP53ALDH1A1MAPTPKM
SCHEMBL4523575 0.74 DDAH1 (0.35) MAPK1TP53ALDH1A1MAPTPKM
SCHEMBL6948812 0.72 PKM (0.58) MAPK1TP53ALDH1A1MAPTPKM

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
EP-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed