SCHEMBL9256202

SCHEMBL9256202

COC(=O)CCCn1c(-c2ccc(C#N)cc2)nc2cc(C(=O)NCCC(=O)OC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
JAK3 P52333 1/20 0.55
PTGER4 P35408 10/20 0.51
ADORA2A P29274 3/20 0.51
ITK Q08881 2/20 0.46
EPHX2 P34913 1/20 0.45
RIPK2 O43353 1/20 0.45
TRPA1 O75762 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL9253691 0.94 JAK2 (0.60) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9254291 0.93 JAK2 (0.59) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255820 0.93 ADORA2A (0.54) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9247747 0.90 PTGER4 (0.49) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255968 0.89 HDAC1 (0.51) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248924 0.89 PTGER4 (0.48) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9256255 0.88 PTGER4 (0.50) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9247566 0.87 PTGER4 (0.49) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9252877 0.86 ENPP2 (0.55) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9254631 0.86 PTGER4 (0.49) JAK2JAK1TYK2JAK3PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed