SCHEMBL1023940

SCHEMBL1023940

Cc1cnc(Cl)nc1Nc1ccc(NC(=O)OC(C)(C)C)c(CCc2cncc(N(C(=O)O)C(C)(C)C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.35
SYK P43405 2/20 0.35
EGFR P00533 5/20 0.34
ITK Q08881 2/20 0.34
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
CDK1 P06493 1/20 0.32
SRC P12931 1/20 0.32
MAPKAPK2 P49137 2/20 0.31
P2RX7 Q99572 1/20 0.31
BRD4 O60885 2/20 0.31
JAK1 P23458 1/20 0.31
HDAC1 Q13547 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
JAK3 P52333 1/20 0.31
AURKB Q96GD4 1/20 0.30

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
SCHEMBL1028573 0.93 STK17B (0.39) P2RX3SYKEGFRSTK17BSTK17A
SCHEMBL1027538 0.92 SYK (0.41) P2RX3SYKEGFRITKSTK17B
SCHEMBL1024066 0.91 EGFR (0.37) P2RX3SYKEGFRITKSTK17B
SCHEMBL1024947 0.88 P2RX3 (0.37) P2RX3SYKEGFRITKSTK17B
SCHEMBL13623074 0.88 P2RX3 (0.38) P2RX3SYKEGFRITKSTK17B
SCHEMBL1025607 0.84 STK17B (0.39) P2RX3SYKEGFRSTK17BSTK17A
SCHEMBL2523025 0.84 STK17B (0.42) STK17BSTK17AKCNQ4KCNQ5JAK3
SCHEMBL1027536 0.83 SYK (0.44) P2RX3SYKEGFRITKCDK1
SCHEMBL4340593 0.82 STK17B (0.41) P2RX3SYKEGFRSTK17BSTK17A
SCHEMBL4338777 0.82 EGFR (0.42) P2RX3SYKEGFRITKCDK1

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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed