SCHEMBL20758388

SCHEMBL20758388

C=Cc1ccnc2[nH]cc(-c3cncc(F)c3)c12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.60
▸ ROCK1 Q13464 11/20 0.60
▸ CDC42BPB Q9Y5S2 11/20 0.60
▸ CLK1 P49759 5/20 0.45
▸ DYRK1A Q13627 5/20 0.45
▸ JAK3 P52333 3/20 0.43
▸ CDC42BPA Q5VT25 2/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL24672994 0.82 ROCK2 (0.62) ROCK2ROCK1CDC42BPBCLK1DYRK1A
SCHEMBL29869562 0.75 ROCK1 (1.00) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24672681 0.75 ROCK1 (1.00) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL24485904 0.68 CCNK (0.42) ROCK2ROCK1CDC42BPBJAK3CDC42BPA
SCHEMBL24673179 0.68 ROCK2 (1.00) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL29869448 0.68 ROCK2 (1.00) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL20508755 0.68 DYRK1A (0.52) ROCK2ROCK1CDC42BPBCLK1DYRK1A
SCHEMBL2693477 0.67 PDGFRA (0.50) CLK1DYRK1APIM1CLK4
SCHEMBL15652480 0.67 MAPK1 (0.70) ROCK2ROCK1CDC42BPBJAK3
SCHEMBL24672968 0.63 ROCK1 (0.58) ROCK2ROCK1CDC42BPBCDC42BPACDC7

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-2019034890-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-02-21 — — WO disclosed
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