SCHEMBL5139714

SCHEMBL5139714

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C(C)CCNC(=O)c2cnc(-n3c(C(F)(F)F)nc4cc(OC)ccc43)cn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.39
NAMPT P43490 1/20 0.38
KDR P35968 2/20 0.34
CLK2 P49760 2/20 0.34
HIPK4 Q8NE63 2/20 0.34
SRPK1 Q96SB4 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
STK17A Q9UEE5 2/20 0.34
IRAK1 P51617 1/20 0.34
NEK4 P51957 1/20 0.34
MAP4K2 Q12851 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MAP3K20 Q9NYL2 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
RXRA P19793 3/20 0.33
PLK4 O00444 1/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL647759 0.86 NPC1 (0.43) BRD4KDRCLK2HIPK4SRPK1
SCHEMBL647637 0.80 SMN1; SMN2 (0.44) BRD4KDRCLK2HIPK4SRPK1
SCHEMBL646580 0.80 DEGS1 (0.45) DYRK1AALDH1A1ADORA3
SCHEMBL646895 0.79 HPGDS (0.41) RXRAALDH1A1
SCHEMBL646985 0.79 DEGS1 (0.41) BRD4RXRADYRK1AALDH1A1
SCHEMBL648016 0.78 LIPE (0.43) KDRCLK2HIPK4SRPK1CLK4
SCHEMBL646761 0.78 ADORA3 (0.46) BRD4KDRCLK2HIPK4SRPK1
SCHEMBL648071 0.78 MAPT (0.44) RXRAALDH1A1TSHRNPSR1PPARG
SCHEMBL645596 0.77 MEN1 (0.44) ALDH1A1
SCHEMBL645754 0.77 HPGDS (0.40) BRD4KDRCLK2HIPK4SRPK1

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-2001476-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-17 EP claimed
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO claimed