SCHEMBL18645216

SCHEMBL18645216

C=CC(=O)N1CCC(Cn2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.67
▸ EGFR P00533 2/20 0.67
▸ TEC P42680 2/20 0.67
▸ CD69 Q07108 1/20 0.67
▸ LYN P07948 2/20 0.55
▸ BLK P51451 2/20 0.55
▸ LCK P06239 2/20 0.54
▸ RIPK2 O43353 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ YES1 P07947 1/20 0.54
▸ HCK P08631 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ CSK P41240 1/20 0.54
▸ PTK6 Q13882 1/20 0.54

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
SCHEMBL18645218 0.91 BTK (0.75) BTKEGFRTECCD69LYN
SCHEMBL29364399 0.88 BTK (0.71) BTKEGFRTECCD69LYN
SCHEMBL14798154 0.88 BTK (0.71) BTKEGFRTECCD69LYN
SCHEMBL18285514 0.86 BTK (0.70) BTKEGFRTECCD69LYN
SCHEMBL18285511 0.86 BTK (0.70) BTKEGFRTECCD69LYN
SCHEMBL18741429 0.84 BLK (0.74) BTKEGFRTECCD69LYN
SCHEMBL18645220 0.83 BTK (0.68) BTKEGFRTECCD69LYN
SCHEMBL28076724 0.83 BTK (0.62) BTKEGFRTECCD69
Tolebrutinib SCHEMBL18285621 0.80 BTK (1.00) BTKEGFRTECCD69LYN
Tolebrutinib SCHEMBL18285624 0.80 BTK (1.00) BTKEGFRTECCD69LYN

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
Send feedback