SCHEMBL11354192

SCHEMBL11354192

CCc1ccc2oc3cc(C#N)c(N)nc3c(=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 5/20 0.37
▸ IKBKE Q14164 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ POLB P06746 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TYMS P04818 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL7028933 0.94 TBK1 (0.39) TBK1IKBKEKDM4EHSD17B10POLB
SCHEMBL11367261 0.84 NT5E (0.45) KDM4EHSD17B10MAPTSMN1; SMN2NPC1
SCHEMBL29674734 0.84 TBK1 (0.51) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL6206386 0.84 TBK1 (0.51) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11375422 0.82 GPR35 (0.46) KDM4EHSD17B10POLBMAPTSMN1; SMN2
SCHEMBL11375110 0.81 TBK1 (0.48) TBK1IKBKEKDM4EMAPTSMN1; SMN2
SCHEMBL11107442 0.81 TBK1 (0.51) TBK1IKBKEKDM4EHSD17B10MAPT
SCHEMBL2907432 0.79 TBK1 (0.56) TBK1IKBKEKDM4ENPC1RAB9A
SCHEMBL11368425 0.79 TBK1 (0.46) TBK1IKBKEKDM4EPOLBSMN1; SMN2
SCHEMBL11362867 0.79 POLB (0.36) HSD17B10POLBSMN1; SMN2NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US claimed
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US disclosed
US-4267332-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-05-12 — — US disclosed
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US disclosed
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US disclosed
Send feedback