SCHEMBL22201522

SCHEMBL22201522

c1cncc(-c2cc3nccc(N4CCCC4)c3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.39
ROCK1 Q13464 8/20 0.39
CDC42BPB Q9Y5S2 8/20 0.39
CDC42BPA Q5VT25 2/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ABL1 P00519 4/20 0.36
BCR P11274 4/20 0.36
SRC P12931 2/20 0.36
EGFR P00533 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
WNT1 P04628 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HCRTR1 O43613 2/20 0.34
AURKA O14965 1/20 0.34
P2RX3 P56373 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
SCHEMBL22201403 0.90 ROCK2 (0.35) ROCK2ROCK1CDC42BPBABL1BCR
SCHEMBL22201306 0.86 SYK (0.41) ROCK2ROCK1CDC42BPBHCRTR1P2RX3
SCHEMBL22201260 0.86 ABL1 (0.39) ABL1BCRSRCEGFRPRKACA
SCHEMBL22201287 0.86 ABL1 (0.39) ABL1BCRSRCEGFRPRKACA
SCHEMBL22201288 0.86 ABL1 (0.39) ABL1BCRSRCEGFRPRKACA
SCHEMBL22201267 0.84 ABL1 (0.38) ABL1BCRSRCEGFRPRKACA
SCHEMBL22201328 0.84 ABL1 (0.38) ABL1BCRSRCEGFRPRKACA
SCHEMBL22201277 0.84 PRKCA (0.42) ABL1BCRSRCEGFRPRKACA
SCHEMBL22201366 0.82 MAPT (0.39) ABL1BCRSRCEGFRPRKACA
SCHEMBL22201526 0.81 ABL1 (0.35) ABL1BCRSRCEGFRPRKACA

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