SCHEMBL17848152

SCHEMBL17848152

Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Cc3cc(Cl)ccc3Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.44
JAK1 P23458 3/20 0.42
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
GSK3B P49841 3/20 0.39
SGK1 O00141 2/20 0.39
FGFR1 P11362 5/20 0.39
FGFR2 P21802 3/20 0.38
FGFR3 P22607 2/20 0.38
PDPK1 O15530 1/20 0.37
HSP90AB1 P08238 1/20 0.37
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
TEK Q02763 1/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36

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
SCHEMBL20560066 0.85 JAK2 (0.39) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL17848181 0.84 JAK2 (0.43) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL17848199 0.83 JAK2 (0.47) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL17848114 0.80 SGK1 (0.46) JAK2GSK3BSGK1FGFR1FGFR2
SCHEMBL17848150 0.77 MPO (0.40) JAK2GSK3BSGK1FGFR1FGFR2
SCHEMBL17848129 0.77 MAP2K4 (0.45) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL17848143 0.77 FGFR1 (0.43) JAK2GSK3BFGFR1FGFR2FGFR3
SCHEMBL6477985 0.76 GSK3B (0.56) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL17848203 0.76 FGFR1 (0.45) JAK2GSK3BFGFR1FGFR2FGFR3
SCHEMBL6489615 0.76 PDPK1 (0.53) JAK2JAK1TYK2JAK3GSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP claimed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO claimed
EP-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO disclosed