SCHEMBL18644866

SCHEMBL18644866

C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4cccnc4)cc3)c3c(N)nccc32)C1

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.87
▸ EGFR P00533 2/20 0.87
▸ TEC P42680 2/20 0.87
▸ CD69 Q07108 1/20 0.87
▸ LCK P06239 2/20 0.67
▸ LYN P07948 2/20 0.67
▸ RIPK2 O43353 1/20 0.67
▸ FYN P06241 1/20 0.67
▸ YES1 P07947 1/20 0.67
▸ HCK P08631 1/20 0.67
▸ SRC P12931 1/20 0.67
▸ CSK P41240 1/20 0.67
▸ PTK6 Q13882 1/20 0.67
▸ BLK P51451 3/20 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
Tolebrutinib SCHEMBL29564612 0.93 BTK (1.00) BTKEGFRTECCD69LCK
Tolebrutinib SCHEMBL18285624 0.93 BTK (1.00) BTKEGFRTECCD69LCK
Tolebrutinib SCHEMBL18285621 0.93 BTK (1.00) BTKEGFRTECCD69LCK
Tolebrutinib SCHEMBL29999020 0.93 BTK (1.00) BTKEGFRTECCD69LCK
SCHEMBL18644867 0.91 BTK (0.88) BTKEGFRTECCD69LCK
SCHEMBL28232853 0.91 BTK (0.73) BTKEGFRTECCD69
SCHEMBL28076632 0.91 BTK (0.73) BTKEGFRTECCD69
SCHEMBL18644879 0.91 BTK (0.89) BTKEGFRTECCD69LCK
SCHEMBL18644873 0.90 BTK (0.88) BTKEGFRTECCD69LCK
SCHEMBL18644876 0.89 BTK (0.86) BTKEGFRTECCD69LCK

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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