SCHEMBL9252687

SCHEMBL9252687

CC(=O)OCOC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
JAK3 P52333 2/20 0.45
PTGER4 P35408 3/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
NAMPT P43490 2/20 0.43
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
EHMT2 Q96KQ7 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2B6 P20813 1/20 0.42
PLK1 P53350 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL9252106 0.93 JAK2 (0.44) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9245485 0.92 PTGER4 (0.48) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9255414 0.90 JAK2 (0.44) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9248606 0.89 EHMT2 (0.49) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9255481 0.89 PTGER4 (0.41) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9251668 0.89 SIRT2 (0.46) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9251618 0.88 JAK2 (0.51) JAK2JAK1TYK2JAK3PTGER4
Hydrochloric Acid SCHEMBL9254196 0.88 JAK2 (0.45) JAK2JAK1TYK2JAK3PTGER4
SCHEMBL9247664 0.88 PTGER4 (0.43) JAK2JAK1TYK2JAK3PTGER4
Bromide SCHEMBL9248810 0.88 JAK2 (0.50) 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