SCHEMBL29409914

SCHEMBL29409914

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.54
▸ ALK Q9UM73 6/20 0.49
▸ DYRK1A Q13627 2/20 0.48
▸ INSR P06213 4/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ TTK P33981 2/20 0.44
▸ PTK2 Q05397 1/20 0.43
▸ 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
SCHEMBL22658727 1.00 LRRK2 (0.54) LRRK2ALKDYRK1AINSRIGF1R
SCHEMBL29409850 0.93 LRRK2 (0.53) LRRK2ALKDYRK1AINSRIGF1R
SCHEMBL24556858 0.93 LRRK2 (0.53) LRRK2ALKDYRK1AINSRIGF1R
SCHEMBL24556814 0.93 LRRK2 (0.53) LRRK2ALKDYRK1AINSRIGF1R
SCHEMBL29409886 0.93 LRRK2 (0.53) LRRK2ALKDYRK1AINSRIGF1R
SCHEMBL29409918 0.92 LRRK2 (0.64) LRRK2ALKINSRIGF1RTTK
SCHEMBL24556837 0.92 LRRK2 (0.64) LRRK2ALKINSRIGF1RTTK
SCHEMBL25107541 0.91 DYRK1A (0.59) LRRK2ALKDYRK1APTK2
SCHEMBL22232854 0.91 TTK (0.56) LRRK2ALKDYRK1ATTKPTK2
SCHEMBL30199066 0.91 TTK (0.56) LRRK2ALKDYRK1ATTKPTK2

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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