SCHEMBL18897787

SCHEMBL18897787

N#CCNC(O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.69
▸ JAK3 P52333 12/20 0.69
▸ JAK1 P23458 4/20 0.69
▸ TYK2 P29597 2/20 0.69
▸ HDAC1 Q13547 2/20 0.69
▸ BMPR1B O00238 1/20 0.69
▸ PLK4 O00444 1/20 0.69
▸ CIT O14578 1/20 0.69
▸ GAK O14976 1/20 0.69
▸ OPA1 O60313 1/20 0.69
▸ ROCK2 O75116 1/20 0.69
▸ STK16 O75716 1/20 0.69
▸ PRKD3 O94806 1/20 0.69
▸ CSNK2A2 P19784 1/20 0.69
▸ CDK2 P24941 1/20 0.69
▸ MARK3 P27448 1/20 0.69
▸ BMPR1A P36894 1/20 0.69
▸ TGFBR1 P36897 1/20 0.69
▸ STAT3 P40763 1/20 0.69
▸ STAT5A P42229 1/20 0.69

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
Momelotinib SCHEMBL2237234 0.82 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
Momelotinib SCHEMBL22282523 0.82 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
Momelotinib SCHEMBL29352115 0.82 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
Momelotinib SCHEMBL2863022 0.81 JAK2 (0.98) JAK2JAK3JAK1TYK2HDAC1
Momelotinib SCHEMBL2863013 0.81 JAK2 (0.98) JAK2JAK3JAK1TYK2HDAC1
Momelotinib SCHEMBL17333087 0.81 JAK2 (0.98) JAK2JAK3JAK1TYK2HDAC1
Momelotinib SCHEMBL29774318 0.81 JAK2 (0.98) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2878039 0.80 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL2861323 0.80 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL24853313 0.79 JAK2 (0.61) JAK2JAK3JAK1TYK2STAT3

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-9662332-B2 Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections EMORY UNIVERSITY (US) 2017-05-30 — — US disclosed
Send feedback