Sugi Predict

Sugi Predict / Compounds / SCHEMBL28442602

SCHEMBL28442602

SCHEMBL28442602

Cc1nn(C2CCOCC2)cc1Nc1ncc(I)cn1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 17/20 0.61
▸ MAP3K14 Q99558 1/20 0.42
▸ IGF1R P08069 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL28439201 0.84 LRRK2 (0.48) LRRK2IGF1RCDK2KCNH2IRAK4
SCHEMBL5020932 0.78 LRRK2 (0.59) LRRK2MAP3K14
SCHEMBL5021144 0.78 LRRK2 (0.59) LRRK2IGF1RCDK2KCNH2
SCHEMBL5021351 0.76 LRRK2 (0.75) LRRK2
SCHEMBL20555455 0.76 LRRK2 (1.00) LRRK2
SCHEMBL9930430 0.76 LRRK2 (0.56) LRRK2MAP3K14
SCHEMBL5021248 0.76 LRRK2 (0.56) LRRK2MAP3K14
SCHEMBL22300155 0.75 LRRK2 (0.57) LRRK2IRAK4
SCHEMBL22300597 0.75 LRRK2 (0.52) LRRK2
SCHEMBL15528273 0.74 LRRK2 (0.70) LRRK2MAP3K14IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111484482-B Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-06-21 — — CN disclosed
CN-111484482-A Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2020-08-04 — — CN disclosed