SCHEMBL5378148

SCHEMBL5378148

CNCc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1.O=C(O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.42
TTK P33981 2/20 0.41
MAP3K5 Q99683 1/20 0.41
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5373489 0.88 MAP2K4 (0.42) CHEK1TTKMAP3K5MAPK3MAPK1
SCHEMBL5378425 0.84 MAP2K4 (0.47) TTKMAPK3MAPK1
SCHEMBL5372938 0.80 WNT1 (0.44)
SCHEMBL5801677 0.78 MAP2K4 (0.54) TTKMAP3K5MAPK3MAPK1
SCHEMBL5372266 0.78 MAP2K4 (0.63) TTKMAP3K5MAPK1
SCHEMBL8257307 0.77 MAP3K5 (0.61) MAP3K5MAPK1
SCHEMBL5386809 0.75 AURKA (0.48) TTKMAPK3MAPK1
SCHEMBL5378042 0.74 MAP3K5 (0.59) CHEK1MAP3K5
SCHEMBL8443396 0.74 MAP2K4 (0.43) TTKMAP3K5MAPK3MAPK1
SCHEMBL5798990 0.74 MAP2K4 (0.61) TTKMAP3K5MAPK3MAPK1

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-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed