SCHEMBL28058890

SCHEMBL28058890

COc1ccc(-c2ccnn2C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.56
BRD4 O60885 1/20 0.53
BRD3 Q15059 1/20 0.53
ICMT O60725 1/20 0.51
PDE4A P27815 1/20 0.49
LRRK2 Q5S007 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45

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
SCHEMBL16911970 0.87 BRD4 (0.51) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL15652106 0.87 ALDH1A1 (0.59) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL24497540 0.87 KDM5A (0.52) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL16911718 0.85 BRD4 (0.50) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL26545148 0.85 BRD4 (0.47) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL27398722 0.85 BRD4 (0.47) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL31051265 0.85 BRD4 (0.47) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL16911318 0.85 S1PR1 (0.54) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL27975555 0.85 BRD4 (0.50) GRM7BRD4BRD3ICMTLRRK2
SCHEMBL26544695 0.83 BRD4 (0.46) GRM7BRD4BRD3ICMTLRRK2

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
CN-105555780-B SYK inhibitors 吉利德科学公司 2018-01-23 CN disclosed
CN-105555780-A Syk inhibitors GILEAD SCIENCES INC 2016-05-04 CN disclosed