SCHEMBL4017811

SCHEMBL4017811

O=Cc1ccccc1-c1c[nH]c2nccc(-c3cc(F)cc(F)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
LRRK2 Q5S007 4/20 0.39
ROCK2 O75116 2/20 0.39
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
JAK2 O60674 8/20 0.39
KMT2A Q03164 1/20 0.38
AXL P30530 1/20 0.38
EGFR P00533 1/20 0.37
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35

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
SCHEMBL29953748 0.75 LRRK2 (0.57) LRRK2ROCK2CDC7MAP4K4PRKACA
SCHEMBL28613800 0.74 GRM5 (0.49) GRM5KMT2A
SCHEMBL856933 0.72 LRRK2 (0.47) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL1364100 0.71 AXL (0.45) LRRK2CDC7MAP4K4CLK4JAK2
SCHEMBL29952435 0.71 LRRK2 (0.51) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL857462 0.71 LRRK2 (0.43) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL857898 0.71 LRRK2 (0.41) LRRK2JAK2AXL
SCHEMBL3623201 0.70 JAK2 (0.46) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL856857 0.70 LRRK2 (0.40) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL27888107 0.70 KMT2A (0.67) ROCK2CDC7MAP4K4PIM1PRKACA

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
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed