SCHEMBL4753958

SCHEMBL4753958

Fc1ccc2ncn(C3CCNCC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
MAPK14 Q16539 9/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
CCR3 P51677 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PRKACA P17612 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CSNK1D P48730 2/20 0.43
MINK1 Q8N4C8 2/20 0.43
MAP4K5 Q9Y4K4 2/20 0.43
RIPK2 O43353 1/20 0.43
DYRK3 O43781 1/20 0.43
PRKCG P05129 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 1/20 0.43

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
SCHEMBL4752964 0.90 CCR3 (0.51) PRKCIMAPK14MAPK13MAPK12MAPK11
SCHEMBL29669427 0.89 IDO1 (0.44) MAPK14MAPK13MAPK12MAPK11IDO1
SCHEMBL4677288 0.82 PRKCI (0.53) PRKCIJAK2JAK1PRMT5IDO1
SCHEMBL1868695 0.82 DDB1 (0.55) PRKCIMAPK14JAK2JAK1PRMT5
SCHEMBL15833600 0.82 PRKCI (0.53) PRKCIMAPK14JAK2JAK1PRMT5
SCHEMBL15825750 0.82 PRKCI (0.53) PRKCIMAPK14MAPK13MAPK12MAPK11
SCHEMBL18787932 0.79 PRKCI (0.50) PRKCIMAPK14JAK2JAK1PRMT5
SCHEMBL18211616 0.79 PRKCI (0.50) PRKCIMAPK14JAK2JAK1PRMT5
SCHEMBL3290233 0.78 DRD2 (0.57) PRKCIMAPK14MAPK13MAPK12MAPK11
SCHEMBL3092780 0.78 PRKCI (0.44) PRKCIMAPK14MAPK13MAPK12MAPK11

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-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed