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Sugi Predict / Compounds / SCHEMBL8323977

SCHEMBL8323977

SCHEMBL8323977

CCCC(CCC)CNC(=O)CCC(Nc1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.35
▸ ERBB2 P04626 4/20 0.33
▸ CNR1 P21554 5/20 0.32
▸ CNR2 P34972 3/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ HRH4 Q9H3N8 4/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 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
SCHEMBL2995802 0.89 CNR1 (0.40) EGFRCNR1CNR2CDK1HRH4
SCHEMBL2997122 0.89 EGFR (0.34) EGFRCNR1CNR2CDK1HRH4
SCHEMBL2998706 0.89 CNR1 (0.37) EGFRCNR1CNR2CDK1HRH4
SCHEMBL2995799 0.89 ALDH1A1 (0.36) EGFRCDK1HRH4HRH3ALDH1A1
SCHEMBL2995316 0.88 TP53 (0.37) EGFRERBB2CNR1CNR2ALDH1A1
SCHEMBL2994428 0.88 CNR1 (0.35) EGFRERBB2CNR1CNR2CDK1
SCHEMBL8325064 0.88 EGFR (0.33) EGFRERBB2CNR1CNR2CDK1
SCHEMBL2994912 0.88 ALDH1A1 (0.34) EGFRERBB2CDK1HRH4HRH3
SCHEMBL2996587 0.88 CNR1 (0.37) EGFRCNR1CNR2CDK1HRH4
SCHEMBL3000004 0.88 CNR1 (0.37) EGFRCNR1CNR2CDK1HRH4

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
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 — — WO disclosed