SCHEMBL2186169

SCHEMBL2186169

CN1CCN(c2ccc3nc(NC(=O)c4csc(NC(=O)c5ccccc5OC(F)(F)F)n4)sc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1G3 Q9Y6M4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.45
ABL1 P00519 2/20 0.44
RAB9A P51151 6/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NCS1 P62166 1/20 0.44
NPC1 O15118 5/20 0.43
PKM P14618 2/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GHSR Q92847 4/20 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
SCHEMBL27756394 0.80 CSNK1E (0.56) CSNK1ECSNK1DCSNK1G3ABL1RAB9A
SCHEMBL2188622 0.78 CSNK1E (0.53) CSNK1ECSNK1DCSNK1G3RAB9AALDH1A1
SCHEMBL2187098 0.76 CSNK1E (0.51) CSNK1ECSNK1DCSNK1G3KDM4ENPSR1
SCHEMBL2188423 0.75 CSNK1E (0.56) CSNK1ECSNK1DCSNK1G3RXFP1MEN1
SCHEMBL2187471 0.74 CSNK1E (0.57) CSNK1ECSNK1DCSNK1G3RAB9AKDM4E
SCHEMBL4083190 0.74 MAPK14 (0.53) RAB9AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL15541991 0.73 CSNK1E (0.60) CSNK1ECSNK1DCSNK1G3RXFP1RAB9A
SCHEMBL27698601 0.73 CSNK1E (0.49) CSNK1ECSNK1DCSNK1G3RAB9ANPC1
SCHEMBL420828 0.72 CSNK1E (0.59) CSNK1ECSNK1DCSNK1G3RXFP1RAB9A
SCHEMBL2187121 0.72 CSNK1E (0.48) CSNK1ECSNK1DCSNK1G3KDM4EALDH1A1

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
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed