SCHEMBL22201277

SCHEMBL22201277

COc1ccnc2cc(-c3cccnc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.42
PRKD3 O94806 1/20 0.42
PRKCG P05129 1/20 0.42
PRKCB P05771 1/20 0.42
LCK P06239 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCI P41743 1/20 0.42
ZAP70 P43403 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKD1 Q15139 1/20 0.42
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ABL1 P00519 7/20 0.38
BCR P11274 7/20 0.38
EGFR P00533 2/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38

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
SCHEMBL22201399 0.90 MEN1 (0.37) ABCB1ABCG2ABL1BCREGFR
SCHEMBL22201260 0.87 ABL1 (0.39) PRKCAPRKCDABCG2ABL1BCR
SCHEMBL22201287 0.87 ABL1 (0.39) PRKCAPRKCDABL1BCREGFR
SCHEMBL22201288 0.87 ABL1 (0.39) PRKCAPRKCDABL1BCREGFR
SCHEMBL22201267 0.87 ABL1 (0.38) PRKCALCKPRKCDABCG2ABL1
SCHEMBL22201292 0.86 SYK (0.42) ABCB1ABCG2EGFREPHA2KDR
SCHEMBL22201328 0.85 ABL1 (0.38) PRKCAPRKCDABCG2ABL1BCR
SCHEMBL22201526 0.84 ABL1 (0.35) PRKCAPRKCDABL1BCREGFR
SCHEMBL22201522 0.84 ROCK2 (0.39) ABL1BCREGFRPDGFRBPDGFRA
SCHEMBL22201366 0.84 MAPT (0.39) ABCB1ABCG2ABL1BCREGFR

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