SCHEMBL19303545

SCHEMBL19303545

CCS(=O)(=O)Nc1cnc(F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
PSIP1 O75475 1/20 0.45
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 4/20 0.38
JAK3 P52333 4/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MRGPRX1 Q96LB2 2/20 0.35

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
SCHEMBL16492684 0.83 KEAP1 (0.41) PTGS1PTGS2ALOX5APFEN1HTT
SCHEMBL23758136 0.79 BRD4 (0.36) BRD4JAK2JAK1JAK3PTGS1
SCHEMBL19303539 0.78 HPGD (0.45) BRD4PSIP1JAK2JAK1TYK2
SCHEMBL15108222 0.74 PSIP1 (0.53) BRD4PSIP1JAK2JAK1TYK2
SCHEMBL18595670 0.73 PSIP1 (0.45) BRD4PSIP1JAK2JAK1TYK2
SCHEMBL18010004 0.73 PSIP1 (0.49) BRD4PSIP1JAK2JAK1TYK2
SCHEMBL19303542 0.72 PSIP1 (0.51) BRD4PSIP1HPGDLMNAHSD17B10
SCHEMBL26789805 0.72 RAB9A (0.56) HPGDLMNAHSD17B10SMN1; SMN2TP53
SCHEMBL25215031 0.71 NOS3 (0.31) SMN1; SMN2NPC1
SCHEMBL17336598 0.70 RAB9A (0.42) HPGDHSD17B10SMN1; SMN2TP53KDM4E

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-2017147526-A1 PI-KINASE INHIBITORS WITH ANTI-INFECTIVE ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-08-31 WO disclosed