SCHEMBL2187404

SCHEMBL2187404

N=C(NC(=O)c1coc(NC(=O)c2ccccc2OC(F)(F)F)n1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.65
CSNK1D P48730 2/20 0.65
NPC1 O15118 9/20 0.49
RAB9A P51151 7/20 0.49
PKM P14618 4/20 0.49
HSP90AA1 P07900 2/20 0.49
PAX8 Q06710 1/20 0.49
MTOR P42345 1/20 0.47
CSNK1G3 Q9Y6M4 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
KLF5 Q13887 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2189066 0.83 CSNK1E (0.69) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187408 0.82 CSNK1E (0.55) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187585 0.80 CSNK1E (0.79) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187593 0.79 NPC1 (0.46) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL27730042 0.76 CSNK1E (0.59) CSNK1ECSNK1DCSNK1G3
SCHEMBL2187181 0.75 CSNK1E (0.56) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187370 0.74 SCD (0.48) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2186987 0.73 CSNK1E (0.81) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187577 0.73 CSNK1E (0.47) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187302 0.71 NPC1 (0.65) CSNK1ECSNK1DNPC1RAB9APKM

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