SCHEMBL17795495

SCHEMBL17795495

Cc1ccc(I)cc1-c1cnn(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
BRD4 O60885 2/20 0.42
RIPK2 O43353 1/20 0.42
BTK Q06187 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PIK3CG P48736 4/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
CREBBP Q92793 3/20 0.39
MTOR P42345 2/20 0.39
PIK3CA P42336 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
TTK P33981 2/20 0.37
GRM2 Q14416 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL27316556 0.83 LRRK2 (0.47) LRRK2BRD4RIPK2BTKSMARCA2
SCHEMBL17809683 0.83 LRRK2 (0.54) LRRK2BRD4RIPK2BTKSMARCA2
SCHEMBL17785770 0.80 AXL (0.51) LRRK2BRD4RIPK2BTKSMARCA2
SCHEMBL10094634 0.80 LRRK2 (0.48) LRRK2BRD4RIPK2BTKPIK3CG
SCHEMBL24731507 0.79 LMNA (0.50) LRRK2BRD4RIPK2BTKSMARCA2
SCHEMBL17806497 0.78 PIK3CG (0.43) LRRK2BRD4RIPK2BTKSMARCA2
SCHEMBL20961827 0.77 LRRK2 (0.46) LRRK2BRD4RIPK2SMARCA2SMARCA4
SCHEMBL17489511 0.76 FLT3 (0.46) LRRK2
SCHEMBL24992450 0.76 ROCK2 (0.42) LRRK2BRD4
SCHEMBL10094625 0.75 BRD4 (0.54) LRRK2BRD4BTKSMARCA2SMARCA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 WO disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 WO disclosed