SCHEMBL16602008

SCHEMBL16602008

N#CC(C#N)=c1c(=O)c2ccc(-c3cccc(N)c3)c3cccc1c32

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.55
▸ BRD4 O60885 2/20 0.39
▸ IKBKB O14920 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ WEE1 P30291 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ PRF1 P14222 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ NTRK1 P04629 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
SCHEMBL16601996 0.91 MCL1 (0.52) MCL1BRD4IKBKBCNR1CNR2
SCHEMBL16602012 0.83 MCL1 (0.52) MCL1IKBKBCHEK1WEE1
SCHEMBL16602004 0.83 MCL1 (0.52) MCL1TDP2
SCHEMBL16602011 0.80 MCL1 (0.57) MCL1
SCHEMBL16602007 0.79 MCL1 (0.56) MCL1BRD4PRF1
SCHEMBL16602019 0.77 MCL1 (0.53) MCL1
SCHEMBL16601995 0.74 MCL1 (0.50) MCL1TDP2
SCHEMBL14922765 0.73 MCL1 (0.67) MCL1MAPTMEN1KMT2A
SCHEMBL2367407 0.72 MCL1 (1.00) MCL1MAPT
SCHEMBL15765900 0.70 MCL1 (0.58) 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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