SCHEMBL6427388

SCHEMBL6427388

O=C1[CH]SC(NC2CC3CCC2C3)=N1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
P2RX7 Q99572 1/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HSP90AA1 P07900 2/20 0.35
JAK3 P52333 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
BRS3 P32247 1/20 0.33

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
SCHEMBL1605102 0.74 CYP1A2 (0.39) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL1604424 0.74 CYP1A2 (0.39) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL1604427 0.74 CYP1A2 (0.39) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL14531385 0.74 CYP1A2 (0.39) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL6427392 0.73 JAK2 (0.36) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL1382675 0.72 JAK2 (0.36) JAK2JAK1P2RX7CNR2PDGFRB
SCHEMBL1605173 0.72 JAK2 (0.36) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL1604799 0.72 JAK2 (0.36) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL1604796 0.72 JAK2 (0.36) JAK2JAK1P2RX7CNR2ALDH1A1
SCHEMBL1605526 0.72 JAK2 (0.36) JAK2JAK1P2RX7CNR2ALDH1A1

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-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO disclosed