SCHEMBL29409855

SCHEMBL29409855

COc1cc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)ccc1Nc1nc(NC2CCCC2)c2c(Cl)c[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.55
▸ TTK P33981 7/20 0.55
▸ PIK3CB P42338 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ PTK2 Q05397 1/20 0.50
▸ DYRK1A Q13627 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ ALK Q9UM73 3/20 0.45
▸ INSR P06213 3/20 0.44

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
SCHEMBL22658355 1.00 LRRK2 (0.55) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658732 0.98 LRRK2 (0.55) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409872 0.98 LRRK2 (0.55) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658452 0.97 LRRK2 (0.54) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409864 0.97 LRRK2 (0.54) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL24556854 0.95 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409876 0.95 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL29409878 0.94 TTK (0.59) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL24556846 0.94 TTK (0.59) LRRK2TTKPIK3CBMAPK8PTK2
SCHEMBL22658768 0.93 LRRK2 (0.58) LRRK2TTKPIK3CBMAPK8PTK2

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
EP-3968990-A1 PYRROLOPYRIMIDINE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 Dana-Farber Cancer Institute, Inc. (US) 2022-03-23 — — EP disclosed
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