SCHEMBL19449367

SCHEMBL19449367

Cc1cc(-c2cccc(Cl)c2)nc2c(C(=O)NC(C)C(F)(F)F)ncn12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.40
CNR1 P21554 1/20 0.40
AVPR1A P37288 1/20 0.37
TACR3 P29371 1/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ABL1 P00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
GRM5 P41594 1/20 0.36
CTSA P10619 1/20 0.35

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
SCHEMBL19437798 0.87 THRB (0.44) CNR2CYP3A4
SCHEMBL19437960 0.87 THRB (0.44) CNR2CYP3A4
SCHEMBL19437797 0.87 THRB (0.44) CNR2CYP3A4
SCHEMBL19437971 0.85 MAPT (0.41)
SCHEMBL19437768 0.85 CNR2 (0.41) CNR2CNR1GRM5
SCHEMBL19449582 0.84 CNR2 (0.43) CNR2CNR1GRM5
SCHEMBL19438022 0.84 IDH1 (0.42) CNR2CNR1TACR3
SCHEMBL19438021 0.84 IDH1 (0.42) CNR2CNR1TACR3
SCHEMBL19438260 0.83 ADORA2A (0.39) GSK3BDYRK1A
SCHEMBL19438275 0.82 GSK3B (0.38) GSK3BDYRK1A

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-2017176961-A1 IMIDAZO [1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 WO disclosed