SCHEMBL11375110

SCHEMBL11375110

CN(C)c1ccc2oc3cc(C#N)c(N)nc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 6/20 0.48
▸ IKBKE Q14164 3/20 0.48
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ELANE P08246 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 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
SCHEMBL11367261 0.84 NT5E (0.45) MAPTNPC1RAB9AGFERSMN1; SMN2
SCHEMBL11375422 0.82 GPR35 (0.46) MAPTNPC1RAB9AGFERSMN1; SMN2
SCHEMBL11354192 0.81 TBK1 (0.37) TBK1IKBKEMAPTNPC1RAB9A
SCHEMBL11107442 0.81 TBK1 (0.51) TBK1IKBKEMAPTNPC1RAB9A
SCHEMBL11544885 0.79 TBK1 (0.72) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL7028933 0.76 TBK1 (0.39) TBK1IKBKESMN1; SMN2KDM4EKMT2A
SCHEMBL11378177 0.76 TBK1 (0.52) TBK1IKBKECCNT1CDK9MAPT
SCHEMBL11101370 0.69 TBK1 (0.42) TBK1IKBKENPC1RAB9AKDM4E
SCHEMBL7024714 0.69 KDM4E (0.41) CCNT1CDK9MAPTNPC1RAB9A
SCHEMBL6206714 0.68 NPC1 (0.53) TBK1IKBKEMAPTNPC1RAB9A

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-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US claimed
Send feedback