SCHEMBL5774666

SCHEMBL5774666

Nc1ncc(CC=O)c2sc(-c3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.54
JAK1 P23458 12/20 0.54
TYK2 P29597 12/20 0.54
JAK3 P52333 11/20 0.54
IKBKB O14920 1/20 0.44
PTP4A3 O75365 1/20 0.41
PTP4A2 Q12974 1/20 0.41
PTP4A1 Q93096 1/20 0.41
MAP3K8 P41279 2/20 0.41
MAPK1 P28482 1/20 0.40
MAP2K1 Q02750 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5777178 0.85 JAK2 (0.38) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL5469860 0.74 JAK2 (0.73) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13606545 0.74 JAK2 (0.56) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL13606542 0.73 JAK2 (0.58) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL4509363 0.73 JAK2 (0.76) JAK2JAK1TYK2JAK3MAP3K8
SCHEMBL13613569 0.71 JAK2 (0.50) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL14447663 0.70 JAK2 (1.00) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL4501679 0.68 JAK2 (0.62) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL15574621 0.67 MAPT (0.40) IKBKBPTP4A3PTP4A2PTP4A1RAB9A
SCHEMBL5746080 0.67 MAPT (0.49) IKBKBPTP4A3PTP4A2PTP4A1ADORA2A

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-1556053-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2006-04-19 EP disclosed
EP-1556053-A1 ANTIINFLAMMATION AGENTS Amgen Inc. (US) 2005-07-27 EP disclosed
WO-2004041285-A1 ANTIINFLAMMATION AGENTS AMGEN INC. (US) 2004-05-21 WO disclosed