SCHEMBL29409917

SCHEMBL29409917

CCNc1nc(Nc2ccc(S(=O)(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]cc(Cl)c12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.65
▸ DYRK3 O43781 1/20 0.48
▸ CSNK1E P49674 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ CLK3 P49761 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ ALK Q9UM73 3/20 0.46
▸ TTK P33981 3/20 0.45
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ ZAP70 P43403 1/20 0.43
▸ SYK P43405 1/20 0.42

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
SCHEMBL22658873 1.00 LRRK2 (0.65) LRRK2DYRK3CSNK1ECLK1CLK2
SCHEMBL29409892 0.94 LRRK2 (0.66) LRRK2DYRK3CSNK1ECLK1CLK2
SCHEMBL22658581 0.94 LRRK2 (0.66) LRRK2DYRK3CSNK1ECLK1CLK2
SCHEMBL22659059 0.94 LRRK2 (0.71) LRRK2TTKPTK2ZAP70SYK
SCHEMBL29409882 0.94 LRRK2 (0.71) LRRK2TTKPTK2ZAP70SYK
SCHEMBL22658381 0.93 LRRK2 (0.61) LRRK2DYRK3CSNK1ECLK1CLK2
SCHEMBL29409847 0.93 LRRK2 (0.61) LRRK2DYRK3CSNK1ECLK1CLK2
SCHEMBL24556841 0.93 LRRK2 (0.56) LRRK2DYRK3CSNK1ECLK1CLK2
SCHEMBL29409906 0.93 LRRK2 (0.56) LRRK2DYRK3CSNK1ECLK1CLK2
SCHEMBL22658399 0.92 LRRK2 (0.58) LRRK2DYRK3CSNK1ECLK1CLK2

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
Send feedback