SCHEMBL19822682

SCHEMBL19822682

N=Cc1c(Cl)nc(Cl)nc1NC1CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 4/20 0.34
PDE10A Q9Y233 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PDE4A P27815 2/20 0.33
EHMT2 Q96KQ7 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
AXL P30530 1/20 0.30

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
SCHEMBL16059041 0.73 MAPK1 (0.39) KMT2AADORA3ADORA2AADORA1
SCHEMBL22873524 0.70
SCHEMBL13165484 0.69 PDE10A (0.36) KMT2AADORA3PDE10AADORA2AADORA1
SCHEMBL17625052 0.69 KMT2A (0.36) KMT2AADORA3PDE10AADORA2AADORA1
SCHEMBL13184884 0.69 PDE4A (0.41) KMT2AADORA3PDE10AADORA2AADORA1
SCHEMBL23599060 0.68 CA1 (0.54) AXL
SCHEMBL1061432 0.67 CA1 (0.50) KMT2APDE10AADORA1
SCHEMBL16714483 0.67 KMT2A (0.44) KMT2AADORA3PDE10AADORA2AADORA1
SCHEMBL21554085 0.66 POLB (0.40) KMT2AADORA3ADORA2AADORA1AXL
SCHEMBL29953279 0.66 PDE10A (0.54) PDE10APDE4A

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-2970266-B1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-01-31 EP disclosed