SCHEMBL22201393

SCHEMBL22201393

c1cnc2nc(-c3ccncc3)nc(Nc3ccc4[nH]ncc4c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 17/20 0.55
MKNK1 Q9BUB5 1/20 0.50
ROCK2 O75116 1/20 0.49
TGFBR1 P36897 1/20 0.49

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
SCHEMBL22201285 0.91 ABCG2 (0.55) ABCG2
SCHEMBL22201397 0.85 ABCG2 (0.55) ABCG2
SCHEMBL22201251 0.83 MKNK1 (0.47) ABCG2MKNK1ROCK2TGFBR1
SCHEMBL22201396 0.82 TGFBR1 (0.53) ABCG2MKNK1ROCK2TGFBR1
SCHEMBL22201422 0.82 ABCG2 (0.60) ABCG2TGFBR1
SCHEMBL22201259 0.81 ABCG2 (0.51) ABCG2
SCHEMBL3041415 0.80 TGFBR1 (0.47) ABCG2MKNK1ROCK2TGFBR1
SCHEMBL6694913 0.79 LATS1 (0.57) ABCG2ROCK2TGFBR1
SCHEMBL14320793 0.79 CLK1 (0.49) MKNK1ROCK2TGFBR1
SCHEMBL22201398 0.78 ABCG2 (0.84) ABCG2

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed