SCHEMBL4304190

SCHEMBL4304190

CC(C)N1CC(n2cc3nc[nH]c(=O)c3n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.43
▸ KDM4A O75164 1/20 0.35
▸ KDM4B O94953 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ ACVR1 Q04771 1/20 0.34
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ IP6K1 Q92551 3/20 0.31
▸ IP6K3 Q96PC2 1/20 0.31

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
SCHEMBL7417525 0.85 ADORA3 (0.46) ADORA3KDM4AKDM4BKDM5CKDM5B
SCHEMBL5351059 0.82 ADORA3 (0.43) ADORA3KDM4AKDM4BKDM5CKDM5B
SCHEMBL5595775 0.77 ADORA3 (0.44) ADORA3KDM4AKDM4BKDM5CKDM5B
SCHEMBL7062655 0.72 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5CKDM5B
Hydrochloric Acid SCHEMBL30194697 0.70 ADORA3 (0.54) ADORA3KDM4AKDM4BKDM5CKDM5B
SCHEMBL21272824 0.65 ADORA3 (0.51) ADORA3KDM4AKDM4BKDM5CKDM5B
SCHEMBL7422510 0.64 ADORA3 (0.48) ADORA3PIK3CDABL1EGFRHCK
SCHEMBL7419559 0.64 ADORA3 (0.48) ADORA3PIK3CDABL1EGFRHCK
SCHEMBL15650225 0.62 — —
SCHEMBL7468020 0.61 ADORA3 (0.66) ADORA3KDM4AKDM4BKDM5CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 — — EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 — — WO disclosed
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