SCHEMBL22985909

SCHEMBL22985909

COc1cc(C(=O)N2CCC(N3CCCCC3)CC2)ccc1Nc1nc(Nc2ccccc2[S+]([O-])C(C)C)c2nc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 3/20 0.52
▸ LRRK2 Q5S007 16/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ BRDT Q58F21 1/20 0.47
▸ DCLK1 O15075 1/20 0.45
▸ DYRK1A Q13627 1/20 0.43
▸ TTK P33981 1/20 0.43

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
SCHEMBL22985944 0.87 LRRK2 (0.52) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL18018900 0.86 MAPK7 (0.55) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL18018798 0.86 TTK (0.54) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL18018898 0.83 MAPK7 (0.48) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL18018896 0.77 ALK (0.53) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL18018889 0.76 ALK (0.60) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL3706137 0.75 LRRK2 (0.49) MAPK7LRRK2TTK
SCHEMBL22985860 0.73 LRRK2 (0.53) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL4047900 0.73 FES (0.66) MAPK7LRRK2DCLK1DYRK1ATTK
SCHEMBL22985881 0.72 MAPK7 (0.53) MAPK7LRRK2BRD4BRDTDCLK1

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
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
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