SCHEMBL9251402

SCHEMBL9251402

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C#N)cc1)n2CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.51
CHRM4 P08173 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
ITK Q08881 1/20 0.46
MCHR1 Q99705 1/20 0.45
ADORA2A P29274 2/20 0.43
OPRK1 P41145 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL9247566 0.90 PTGER4 (0.49) PTGER4CHRM4JAK2JAK1TYK2
SCHEMBL9255857 0.89 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9247747 0.86 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256202 0.84 JAK2 (0.55) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256255 0.84 PTGER4 (0.50) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248924 0.84 PTGER4 (0.48) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9253691 0.82 JAK2 (0.60) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255224 0.82 NLRP3 (0.46) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255820 0.81 ADORA2A (0.54) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254291 0.81 JAK2 (0.59) PTGER4JAK2JAK1TYK2JAK3

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed