SCHEMBL18644871

SCHEMBL18644871

C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c3c(N)nccc32)C1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.83
▸ EGFR P00533 2/20 0.83
▸ TEC P42680 2/20 0.83
▸ CD69 Q07108 1/20 0.83
▸ RIPK2 O43353 1/20 0.64
▸ LCK P06239 1/20 0.64
▸ FYN P06241 1/20 0.64
▸ YES1 P07947 1/20 0.64
▸ LYN P07948 1/20 0.64
▸ HCK P08631 1/20 0.64
▸ SRC P12931 1/20 0.64
▸ CSK P41240 1/20 0.64
▸ PTK6 Q13882 1/20 0.64

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
SCHEMBL18644867 0.92 BTK (0.88) BTKEGFRTECCD69RIPK2
SCHEMBL18644879 0.91 BTK (0.89) BTKEGFRTECCD69RIPK2
SCHEMBL18644873 0.91 BTK (0.88) BTKEGFRTECCD69RIPK2
Tolebrutinib SCHEMBL29999020 0.91 BTK (1.00) BTKEGFRTECCD69RIPK2
Tolebrutinib SCHEMBL18285621 0.91 BTK (1.00) BTKEGFRTECCD69RIPK2
Tolebrutinib SCHEMBL29564612 0.91 BTK (1.00) BTKEGFRTECCD69RIPK2
Tolebrutinib SCHEMBL18285624 0.91 BTK (1.00) BTKEGFRTECCD69RIPK2
SCHEMBL18644669 0.90 BTK (0.86) BTKEGFRTECCD69RIPK2
SCHEMBL18644868 0.89 BTK (0.85) BTKEGFRTECCD69RIPK2
SCHEMBL18644878 0.88 BTK (0.84) BTKEGFRTECCD69RIPK2

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-2017041536-A1 OXO-DIHYDROIMIDAZO PYRIDINE COMPOUND AND APPLICATIONS THEREOF 东莞市真兴贝特医药技术有限公司 2017-03-16 — — WO disclosed
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