SCHEMBL2469461

SCHEMBL2469461

NC(=O)c1cc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)cc2c1[nH]c1cc(N3CCSC(=O)C3=O)ccc12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.60
JAK1 P23458 6/20 0.55
TYK2 P29597 6/20 0.55
JAK3 P52333 6/20 0.55
BTK Q06187 2/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL2471314 0.89 JAK2 (0.46) JAK2JAK1TYK2JAK3BTK
SCHEMBL143300 0.88 JAK2 (0.76) JAK2JAK1TYK2JAK3BTK
SCHEMBL139811 0.85 JAK2 (0.76) JAK2JAK1TYK2JAK3BTK
SCHEMBL142310 0.85 JAK2 (0.70) JAK2JAK1TYK2JAK3BTK
SCHEMBL140874 0.84 JAK2 (0.68) JAK2JAK1TYK2JAK3
SCHEMBL143975 0.84 JAK2 (0.68) JAK2JAK1TYK2JAK3BTK
SCHEMBL139968 0.84 JAK2 (0.68) JAK2JAK1TYK2JAK3BTK
SCHEMBL2470019 0.82 JAK2 (0.66) JAK2JAK1TYK2JAK3BTK
SCHEMBL2465637 0.82 JAK2 (0.50) JAK2JAK1TYK2JAK3BTK
SCHEMBL145928 0.80 JAK2 (0.63) JAK2JAK1TYK2JAK3BTK

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
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed