SCHEMBL9252877

SCHEMBL9252877

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2CCc1ccc(OC)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.55
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
JAK3 P52333 1/20 0.53
MAPT P10636 8/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 6/20 0.47
PTGER4 P35408 3/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Hydrochloric Acid SCHEMBL9251326 0.89 ENPP2 (0.58) ENPP2JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9095373 0.88 ENPP2 (0.58) ENPP2JAK2JAK1TYK2JAK3
SCHEMBL9256202 0.86 JAK2 (0.55) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248891 0.85 JAK2 (0.52) ENPP2JAK2JAK1TYK2JAK3
SCHEMBL9253691 0.84 JAK2 (0.60) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9247747 0.84 PTGER4 (0.49) JAK2JAK1TYK2JAK3MAPT
SCHEMBL9248557 0.83 ENPP2 (0.59) ENPP2JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254291 0.83 JAK2 (0.59) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255820 0.83 ADORA2A (0.54) JAK2JAK1TYK2JAK3PTGER4
Bromide SCHEMBL9252006 0.83 ENPP2 (0.58) ENPP2JAK2JAK1TYK2JAK3

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