SCHEMBL29409850

SCHEMBL29409850

CC[C@@H](C)Nc1nc(Nc2ccc(S(=O)(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]cc(Cl)c12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.53
▸ ALK Q9UM73 4/20 0.47
▸ KMT2A Q03164 1/20 0.44
▸ DYRK1A Q13627 3/20 0.43
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ CSNK1E P49674 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ PTK2 Q05397 2/20 0.41
▸ TTK P33981 1/20 0.41
▸ ZAP70 P43403 1/20 0.41

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
SCHEMBL24556858 1.00 LRRK2 (0.53) LRRK2ALKKMT2ADYRK1AINSR
SCHEMBL29409886 1.00 LRRK2 (0.53) LRRK2ALKKMT2ADYRK1AINSR
SCHEMBL24556814 1.00 LRRK2 (0.53) LRRK2ALKKMT2ADYRK1AINSR
SCHEMBL29409884 0.94 LRRK2 (0.57) LRRK2KMT2APTK2TTKZAP70
SCHEMBL22658449 0.94 LRRK2 (0.57) LRRK2KMT2APTK2TTKZAP70
SCHEMBL22658448 0.94 LRRK2 (0.57) LRRK2KMT2APTK2TTKZAP70
SCHEMBL29409860 0.94 LRRK2 (0.57) LRRK2KMT2APTK2TTKZAP70
SCHEMBL24556827 0.94 LRRK2 (0.57) LRRK2KMT2APTK2TTKZAP70
SCHEMBL22658727 0.93 LRRK2 (0.54) LRRK2ALKDYRK1AINSRIGF1R
SCHEMBL29409914 0.93 LRRK2 (0.54) LRRK2ALKDYRK1AINSRIGF1R

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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