SCHEMBL23935164

SCHEMBL23935164

Nc1cnc2ccc(C(F)(F)F)cc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
EGFR P00533 3/20 0.42
NOS3 P29474 2/20 0.42
NOS2 P35228 2/20 0.42
FEN1 P39748 3/20 0.39
NPBWR1 P48145 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ALOX5AP P20292 2/20 0.38
KDR P35968 2/20 0.38
CDK2 P24941 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL29742208 1.00 BACE1 (0.45) BACE1EPHX2SCN4AEGFRNOS3
SCHEMBL436530 0.83 BACE1 (0.42) BACE1EPHX2SCN4AEGFRNOS3
SCHEMBL439770 0.83 BACE1 (0.42) BACE1EPHX2SCN4AEGFRNOS3
SCHEMBL9169732 0.79 ESR1 (0.47) NPBWR1CCNCCDK8ALDH1A1KDM4E
SCHEMBL439948 0.79 ALDH1A1 (0.53) FEN1ALOX5APKDRCDK2CHEK1
SCHEMBL18658922 0.77 ALDH1A1 (0.47) BACE1ALDH1A1KDM4EHPGD
SCHEMBL5314200 0.77 NR4A2 (0.56) BACE1EPHX2SCN4AEGFRNOS3
SCHEMBL10385174 0.77 BCHE (0.45) BACE1CCNCCDK8MAP4K4AXL
SCHEMBL28240867 0.76 PARP1 (0.46) EGFRRPS6KA3CSNK2A1DYRK1AALDH1A1
SCHEMBL29728013 0.74 MAP4K4 (0.54) EGFRMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3592741-B1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2023-02-15 EP disclosed
CN-111051304-B Imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors 辉瑞大药厂 2022-12-27 CN disclosed
CN-111201226-B Cyclic substituted imidazo [4,5-c ] quinoline derivatives 辉瑞大药厂 2022-07-22 CN disclosed
EP-3592740-B1 CYCLIC SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE DERIVATIVES PFIZER (US) 2022-02-09 EP disclosed
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed
CN-108137586-B Novel imidazo [4,5-c ] quinoline and imidazo [4,5-c ] [1,5] naphthyridine derivatives as LRRK2 inhibitors 辉瑞大药厂 2021-04-13 CN disclosed
CN-111201226-A Cyclic substituted imidazo [4,5-c ] quinoline derivatives 辉瑞大药厂 2020-05-26 CN disclosed
CN-111051304-A Novel imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors 辉瑞大药厂 2020-04-21 CN disclosed