SCHEMBL28233724

SCHEMBL28233724

O=C(O)N1CCC[C@@H](n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.37
▸ EGFR P00533 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ CD69 Q07108 1/20 0.37
▸ KDM4C Q9H3R0 5/20 0.37
▸ KDM2A Q9Y2K7 5/20 0.37
▸ KDM6B O15054 4/20 0.37
▸ KDM5C P41229 4/20 0.37
▸ KDM3A Q9Y4C1 3/20 0.37
▸ CALCRL Q16602 1/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL28076562 0.94 CALCRL (0.40) CALCRLOPRM1OPRK1OPRL1BCHE
SCHEMBL28076558 0.94 CALCRL (0.40) CALCRLOPRM1OPRK1OPRL1BCHE
SCHEMBL18285527 0.91 OPRM1 (0.40) BTKEGFRTECCD69CALCRL
SCHEMBL18285521 0.91 OPRM1 (0.40) BTKEGFRTECCD69CALCRL
SCHEMBL18645213 0.88 HTR6 (0.47) BTKJAK2JAK1BCHEACHE
SCHEMBL15155889 0.87 EGFR (0.39) BTKEGFRTECJAK2JAK1
SCHEMBL28076721 0.84 HTR6 (0.41) BTKKDM4CKDM5AKDM5B
SCHEMBL18644664 0.83 JAK2 (0.49) BTKEGFRJAK2JAK1ACHE
SCHEMBL20480742 0.81 PIK3CD (0.38) BTKTECCALCRLOPRM1OPRK1
SCHEMBL16143648 0.81 PIK3CD (0.38) BTKTECCALCRLOPRM1OPRK1

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
CN-105753863-B Oxo-dihydroimidazopyridine compound and application thereof 东莞市真兴贝特医药技术有限公司 2018-07-31 — — CN disclosed
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