SCHEMBL11464801

SCHEMBL11464801

COC(=O)c1cc(F)ccc1Nc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 4/20 0.53
CLK4 Q9HAZ1 6/20 0.47
KDR P35968 4/20 0.47
STK17A Q9UEE5 3/20 0.47
CLK2 P49760 3/20 0.47
HIPK4 Q8NE63 2/20 0.47
SRPK1 Q96SB4 2/20 0.47
MAP3K20 Q9NYL2 2/20 0.47
IRAK1 P51617 1/20 0.47
NEK4 P51957 1/20 0.47
MAP4K2 Q12851 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
GSK3A P49840 5/20 0.47
GSK3B P49841 5/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
AURKB Q96GD4 2/20 0.47
PRKD2 Q9BZL6 2/20 0.47
DYRK3 O43781 2/20 0.47

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
Hydrochloric Acid SCHEMBL11481165 0.87 GAK (0.46) GAKCLK4KDRSTK17ACLK2
SCHEMBL11461802 0.86 NR4A2 (0.46) GAKCLK4KDRSTK17ACLK2
Hydrochloric Acid SCHEMBL11479626 0.85 NR4A2 (0.45) GAKCLK4KDRSTK17ACLK2
SCHEMBL11463989 0.85 CYP1A2 (0.52) GAKKDRFGFR1THRB
SCHEMBL11481235 0.84 KDR (0.60) GAKCLK4KDRSTK17ACLK2
SCHEMBL19644053 0.80 CFTR (0.54) GAKCLK4KDRSTK17ACLK2
SCHEMBL26931120 0.79 CFTR (0.50) CFTRMPOMAPK10
SCHEMBL11462384 0.79 GSK3A (0.47) CLK4STK17ACLK2HIPK4SRPK1
SCHEMBL22833864 0.77 CFTR (0.50) CFTRMPO
SCHEMBL29383454 0.77 CFTR (0.50) CFTRMPO

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-4233305-A ANALGESICS ROUSSEL UCLAF (FR) 1980-11-11 US disclosed