SCHEMBL16601996

SCHEMBL16601996

N#CC(C#N)=c1c(=O)c2ccc(-c3cccc(N)c3)c3c(-c4cccc(N)c4)ccc1c32

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.52
▸ BRD4 O60885 1/20 0.36
▸ IKBKB O14920 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ WEE1 P30291 1/20 0.34
▸ PRF1 P14222 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ NTRK1 P04629 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL16602008 0.91 MCL1 (0.55) MCL1BRD4IKBKBMAPTCNR1
SCHEMBL16601995 0.82 MCL1 (0.50) MCL1TDP2
SCHEMBL16602049 0.76 MCL1 (0.50) MCL1
SCHEMBL16601994 0.75 MCL1 (0.49) MCL1BRD4CHEK1WEE1PRF1
SCHEMBL15765900 0.74 MCL1 (0.58) MCL1
SCHEMBL16602004 0.74 MCL1 (0.52) MCL1TDP2
SCHEMBL16602012 0.74 MCL1 (0.52) MCL1IKBKBCHEK1WEE1
SCHEMBL16601985 0.73 MCL1 (0.45) MCL1
SCHEMBL16601697 0.70 MAOA (0.48) MCL1BRD4MAPTPRF1TDP2
SCHEMBL16602011 0.70 MCL1 (0.57) MCL1

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-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 — — US disclosed
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