SCHEMBL17554234

SCHEMBL17554234

Nc1cc(CN2CCS(=O)(=O)CC2)cc2cc(-c3ccccc3)n(C3CCOCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
STK10 O94804 1/20 0.36
ABL1 P00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CSF1R P07333 1/20 0.36
FLT1 P17948 1/20 0.36
CYP2C19 P33261 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
STAT1 P42224 1/20 0.36
IRAK1 P51617 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK10 P53779 1/20 0.36
KCNH2 Q12809 1/20 0.36
MERTK Q12866 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
Q6ZSR9 Q6ZSR9 1/20 0.36
ADCK1 Q86TW2 1/20 0.36

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
SCHEMBL3758694 0.89 JAK1 (0.39) JAK1JAK2TYK2STK10ABL1
SCHEMBL29113489 0.74 JAK1 (0.38) JAK1JAK2TYK2STK10ABL1
SCHEMBL30449061 0.74 JAK1 (0.38) JAK1JAK2TYK2STK10ABL1
SCHEMBL27237587 0.72 NR4A2 (0.40) KCNH2PIK3CD
SCHEMBL29384916 0.69 JAK1 (0.40) JAK1CYP1A2CYP2C19DRD2DRD4
SCHEMBL3433366 0.69 JAK1 (0.40) JAK1CYP1A2CYP2C19DRD2DRD4
SCHEMBL29386984 0.67 CSF1R (0.42) CSF1RDRD2DRD4DRD3
SCHEMBL3014664 0.67 DHODH (0.38) CSF1RDRD2DRD4DRD3LTA4H
SCHEMBL1897623 0.67 CSF1R (0.42) CSF1RDRD2DRD4DRD3
SCHEMBL25301156 0.67 MCHR1 (0.36) JAK1CSF1RDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2992881-B1 PHARMACEUTICAL COMPOSITION FOR INHIBITING IMMUNE RESPONSE THROUGH INDUCING DIFFERENTIATION INTO REGULATOR T CELLS AND PROMOTING PROLIFERATION OF REGULATOR T CELLS LG CHEMICAL LTD (KR) 2019-05-22 EP disclosed
EP-3132795-A1 COMPOSITION FOR PREVENTING OR TREATING FATTY LIVER DISEASES LG Life Sciences Ltd. (KR) 2017-02-22 EP disclosed
EP-2992881-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING IMMUNE RESPONSE THROUGH INDUCING DIFFERENTIATION INTO REGULATOR T CELLS AND PROMOTING PROLIFERATION OF REGULATOR T CELLS LG Life Sciences Ltd. (KR) 2016-03-09 EP disclosed