SCHEMBL23023602

SCHEMBL23023602

Cc1ccn2nc(-c3ccccc3F)c(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ MBNL1 Q9NR56 1/20 0.40
▸ ADORA2A P29274 3/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL23023571 0.86 ADORA2A (0.40) HTR6PTGS2MBNL1ADORA2AADORA1
SCHEMBL25150574 0.83 PTGS2 (0.38) HTR6PTGS2MBNL1ADORA2AADORA1
SCHEMBL23023590 0.83 PTGS2 (0.44) HTR6PTGS2ADORA2AADORA1ADORA2B
SCHEMBL29703800 0.81 DHODH (0.41) HTR6PTGS2MBNL1ADORA2AADORA1
SCHEMBL23013548 0.81 DHODH (0.41) HTR6PTGS2MBNL1ADORA2AADORA1
SCHEMBL29703797 0.77 ALDH1A1 (0.44) NPC1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL23013511 0.77 ALDH1A1 (0.44) NPC1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL23023710 0.72 PTGS2 (0.42) PTGS2MBNL1NPC1MAPTTP53
SCHEMBL23047161 0.70 PDE10A (0.44) HTR6PTGS2NPC1PDE10AMAPT
SCHEMBL23998550 0.69 ADORA2A (0.35) MBNL1ADORA2AADORA1ADORA2BNPC1

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-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — WO disclosed
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