SCHEMBL28085028

SCHEMBL28085028

CNc1nc(Nc2ccccc2OC(F)F)ncc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 17/20 1.00
▸ ULK1 O75385 1/20 0.62
▸ JAK2 O60674 1/20 0.56
▸ ALK Q9UM73 2/20 0.51
▸ INSR P06213 1/20 0.48
▸ IGF1R P08069 1/20 0.48

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
SCHEMBL7458726 0.85 LRRK2 (1.00) LRRK2JAK2ALKINSRIGF1R
SCHEMBL19654261 0.81 ULK1 (0.70) LRRK2ULK1ALKINSRIGF1R
SCHEMBL7453776 0.80 LRRK2 (0.77) LRRK2ALK
SCHEMBL7448853 0.80 LRRK2 (0.70) LRRK2ALK
SCHEMBL17547513 0.77 ULK1 (1.00) LRRK2ULK1JAK2ALK
SCHEMBL29574731 0.77 ULK1 (1.00) LRRK2ULK1JAK2ALK
SCHEMBL27380982 0.74 LRRK2 (0.72) LRRK2ULK1JAK2
SCHEMBL28507855 0.73 LRRK2 (0.58) LRRK2ULK1ALKINSRIGF1R
SCHEMBL24716030 0.73 LRRK2 (0.56) LRRK2ALK
SCHEMBL24716041 0.73 LRRK2 (0.56) LRRK2ALKINSR

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-105801493-B It is used to treat the 2- Phenyl aminopyrimidine derivants of Parkinson's disease as kinases LRRK2 conditioning agents 健泰科生物技术公司 2018-09-21 — — CN disclosed
CN-105837519-A AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS 霍夫曼-拉罗奇有限公司 2016-08-10 — — CN disclosed
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