SCHEMBL24964808

SCHEMBL24964808

COc1cc(C(=N)/C(=C(/C)N)c2ccc(Cl)cc2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.37
▸ PROKR1 Q8TCW9 4/20 0.37
▸ LOX P28300 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ CCR9 P51686 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ MAP4K4 O95819 2/20 0.33
▸ NNMT P40261 2/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL24963538 0.83 CCR9 (0.38) PROKR1CCR9LMNAMAP4K4POLB
SCHEMBL24963385 0.78 LMNA (0.43) LMNAPOLB
SCHEMBL24964967 0.76 LRRK2 (0.52) —
SCHEMBL23539981 0.74 PRSS1 (0.49) PROKR1LOXLOXL2KCNK3KCNK9
SCHEMBL24963420 0.72 LMNA (0.41) PROKR1LMNAPOLBHPGD
SCHEMBL24964991 0.71 CES2 (0.48) LMNAPOLB
SCHEMBL24964824 0.69 LMNA (0.54) LMNAPLAUPOLB
SCHEMBL445784 0.68 NNMT (0.56) PROKR1LOXLOXL2KCNK3KCNK9
SCHEMBL31318865 0.68 CYP1A2 (0.54) PROKR1LOXLOXL2LMNAKCNK3
SCHEMBL30281222 0.68 NNMT (0.56) PROKR1LOXLOXL2KCNK3KCNK9

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
WO-2023004280-A1 SELECTIVE PYRAZOLE LRRK2 INHIBITORS AND METHODS FOR USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-01-26 — — WO disclosed
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