SCHEMBL9251618

SCHEMBL9251618

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2CCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.51
JAK1 P23458 4/20 0.51
TYK2 P29597 4/20 0.51
JAK3 P52333 4/20 0.51
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
F10 P00742 2/20 0.46
EHMT2 Q96KQ7 2/20 0.46
EHMT1 Q9H9B1 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
PTGER4 P35408 2/20 0.45
PIN1 Q13526 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
PLK1 P53350 1/20 0.42
TSSK1B Q9BXA7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
Bromide SCHEMBL9248810 0.99 JAK2 (0.50) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9253344 0.97 JAK2 (0.52) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9245485 0.92 PTGER4 (0.48) JAK2JAK1TYK2JAK3F10
SCHEMBL9255982 0.90 JAK2 (0.52) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9248606 0.89 EHMT2 (0.49) JAK2JAK1TYK2JAK3F10
SCHEMBL9247518 0.89 JAK2 (0.56) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9257115 0.89 JAK2 (0.60) JAK2JAK1TYK2JAK3ITGB3
SCHEMBL9256074 0.89 ITGB3 (0.54) JAK2JAK1TYK2JAK3ITGB3
Hydrochloric Acid SCHEMBL9254196 0.88 JAK2 (0.45) JAK2JAK1TYK2JAK3F10
SCHEMBL9252687 0.88 JAK2 (0.45) JAK2JAK1TYK2JAK3F10

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 claimed
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 claimed