SCHEMBL6752920

SCHEMBL6752920

CC(=O)N1CCC(c2nc(-c3ccc(F)cc3)c3ccccn23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ BTK Q06187 4/20 0.44
▸ KCNK3 O14649 5/20 0.42
▸ KCNK9 Q9NPC2 3/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CSNK1G2 P78368 1/20 0.42

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
SCHEMBL6751117 0.86 JAK2 (0.48) ALDH1A1KCNK3KCNK9GRIA1TP53
SCHEMBL4726455 0.83 HSD11B1 (0.41) MAPK14KDM4EALDH1A1CNR2HTR2B
SCHEMBL6752291 0.82 RORC (0.43) BTKKCNK3KCNK9HTR2BHSD11B1
SCHEMBL6039857 0.79 TNK2 (0.46) KCNH2MAPK11MAPK14KDM4EALDH1A1
SCHEMBL6040019 0.79 OPRM1 (0.41) KCNH2MAPK14KDM4EALDH1A1HPGD
SCHEMBL6848068 0.78 EPHX2 (0.55) KCNK3KCNK9
SCHEMBL6039497 0.77 PRCP (0.52) —
SCHEMBL6039873 0.77 HPGDS (0.51) KDM4EALDH1A1CNR2
SCHEMBL7170296 0.76 BTK (0.47) BTKKCNK3KCNK9
SCHEMBL7170299 0.76 BTK (0.47) BTKKCNK3KCNK9

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-2004058755-A2 COMPOUND LIBRARIES OF IMIDAZO[1,5-A]PYRIDIN-3-YL DERIVATIVES AND RELATED HETEROBICYCLES FOR TARGETTING COMPOUNDS CAPABLE OF BINDING TO G-PROTEIN COUPLED RECEPTORS BIOFOCUS PLC (GB) 2004-07-15 — — WO disclosed
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