SCHEMBL21738252

SCHEMBL21738252

COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(C2CC2)c2c(F)c[nH]c2n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 18/20 0.68
▸ TTK P33981 1/20 0.62
▸ DYRK1A Q13627 1/20 0.58
▸ SLCO1B1 Q9Y6L6 1/20 0.58

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
SCHEMBL21738253 0.96 LRRK2 (0.63) LRRK2TTKDYRK1ASLCO1B1
SCHEMBL21738318 0.94 DYRK1A (0.64) LRRK2TTKDYRK1A
SCHEMBL21738312 0.92 LRRK2 (0.78) LRRK2TTK
SCHEMBL21738217 0.90 DYRK1A (0.70) LRRK2TTKDYRK1A
SCHEMBL21738418 0.89 TTK (0.76) LRRK2TTKDYRK1ASLCO1B1
SCHEMBL21738325 0.89 LRRK2 (0.73) LRRK2TTK
SCHEMBL21738251 0.86 LRRK2 (0.70) LRRK2TTKDYRK1A
SCHEMBL21738307 0.85 DYRK1A (0.74) LRRK2TTKDYRK1A
SCHEMBL21738431 0.85 LRRK2 (0.79) LRRK2SLCO1B1
SCHEMBL21738219 0.84 TTK (0.69) LRRK2TTKDYRK1A

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-2020036437-A1 SUBSTITUTED HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASES WHICH CONTAINS SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2020-02-20 — — WO disclosed
Send feedback