SCHEMBL13771598

SCHEMBL13771598

CC(=O)NC1=CC=CC(Nc2nc(Cl)nc(Nc3cccc(NC(C)=O)c3)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ CSNK2A1 P68400 6/20 0.42
▸ MAP3K5 Q99683 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ SCN9A Q15858 4/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ NPR3 P17342 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ NEK2 P51955 1/20 0.38

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
SCHEMBL2219871 0.80 POLB (0.72) POLBCSNK2A1MAP3K5AURKAAURKB
SCHEMBL3246720 0.78 POLB (0.68) POLBCSNK2A1MAP3K5AURKAAURKB
SCHEMBL13771495 0.74 ALDH1A1 (0.64) POLBCSNK2A1MAP3K5AURKAAURKB
SCHEMBL3243500 0.71 MAP3K5 (0.60) POLBMAP3K5AURKAAURKBSCN9A
SCHEMBL12443884 0.69 MAP3K5 (0.63) POLBCSNK2A1MAP3K5AURKAAURKB
SCHEMBL12515414 0.68 MAP3K5 (0.58) POLBCSNK2A1MAP3K5AURKAAURKB
SCHEMBL13921831 0.67 RAB9A (0.51) SYK
SCHEMBL21925740 0.67 MAP3K5 (0.59) POLBCSNK2A1MAP3K5AURKAAURKB
SCHEMBL16928500 0.65 MAP3K5 (0.54) POLBCSNK2A1MAP3K5AURKAAURKB
SCHEMBL21635739 0.65 RHOA (0.66) CSNK2A1MAP3K5JAK2

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
WO-2009093041-A2 MODIFIED CELLULOSIC MATERIALS THE SECRETARY OF STATE F0R DEFENCE (GB) 2009-07-30 — — WO disclosed
Send feedback