SCHEMBL22201413

SCHEMBL22201413

Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2o1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 19/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL22201414 0.87 ABCG2 (0.50) ABCG2
SCHEMBL22201411 0.87 ABCG2 (0.50) ABCG2
SCHEMBL22201604 0.86 ALDH1A1 (0.66) ABCG2KDM4EALDH1A1RXFP1
SCHEMBL22201409 0.85 ABCG2 (0.48) ABCG2
SCHEMBL22201462 0.85 ABCG2 (0.48) ABCG2KDM4EALDH1A1RXFP1
SCHEMBL22201406 0.85 ABCG2 (0.55) ABCG2
SCHEMBL22201695 0.84 ALDH1A1 (0.49) ABCG2KDM4EALDH1A1RXFP1
SCHEMBL22201410 0.84 ABCG2 (0.47) ABCG2
SCHEMBL22201420 0.82 LATS1 (0.54) ABCG2KDM4EALDH1A1RXFP1
SCHEMBL22201422 0.82 ABCG2 (0.60) 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