SCHEMBL17848411

SCHEMBL17848411

Cc1ccc(O)cc1-c1cc2[nH]nc(N)c2cc1Cc1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.37
MAP2K4 P45985 1/20 0.35
P2RX7 Q99572 1/20 0.34
MAPK1 P28482 5/20 0.34
SGK1 O00141 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL20560052 0.92 SGK1 (0.39) MPOMAP2K4MAPK1SGK1JAK2
SCHEMBL17848441 0.85 MAPK1 (0.44) MPOMAPK1JAK2JAK3PRKAA1
SCHEMBL17848137 0.85 MAPK1 (0.37) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL17848150 0.85 MPO (0.40) MPOMAP2K4SGK1JAK2ABL1
SCHEMBL20559448 0.83 MAP2K4 (0.37) MAP2K4MAPK1JAK2JAK1TYK2
SCHEMBL17848111 0.80 MAPK1 (0.43) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL20560066 0.79 JAK2 (0.39) P2RX7MAPK1SGK1JAK2JAK1
SCHEMBL20559532 0.79 JAK2 (0.37) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL17848114 0.76 SGK1 (0.46) MPOMAP2K4MAPK1SGK1JAK2
SCHEMBL17848129 0.72 MAP2K4 (0.45) MAP2K4MAPK1JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233840-B1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S R L (IT) 2018-11-21 EP claimed
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