SCHEMBL2470076

SCHEMBL2470076

CC(C)(C)N1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.57
JAK1 P23458 7/20 0.57
TYK2 P29597 7/20 0.57
JAK3 P52333 7/20 0.57
MEN1 O00255 1/20 0.41
IKBKB O14920 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL141786 0.88 JAK2 (0.72) JAK2JAK1TYK2JAK3
SCHEMBL143139 0.85 JAK2 (0.53) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL13284311 0.85 JAK2 (0.59) JAK2JAK1TYK2JAK3MEN1
SCHEMBL144073 0.85 JAK2 (0.72) JAK2JAK1TYK2JAK3
SCHEMBL141957 0.80 JAK2 (0.71) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL143497 0.78 BTK (0.50) MEN1IKBKBUSP2ALDH1A1TP53
SCHEMBL15994195 0.78 JAK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL2469096 0.77 JAK2 (0.85) JAK2JAK1TYK2JAK3
SCHEMBL143095 0.73 MEN1 (0.49) JAK2JAK1TYK2JAK3MEN1
SCHEMBL139520 0.73 JAK2 (1.00) JAK2JAK1TYK2JAK3

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