SCHEMBL24963538

SCHEMBL24963538

C/C(N)=C(/C(=N)c1ccnc(C)c1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ MAP4K4 O95819 2/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ UBE2T Q9NPD8 1/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ XIAP P98170 1/20 0.32

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
SCHEMBL24963420 0.84 LMNA (0.41) LMNAPROKR1POLBCES2CES1
SCHEMBL24964808 0.83 CNR1 (0.37) CCR9LMNAMAP4K4PROKR1POLB
SCHEMBL24963385 0.81 LMNA (0.43) LMNAPOLBCES2CES1
SCHEMBL24964991 0.74 CES2 (0.48) LMNAPOLBCES2CES1
SCHEMBL24963392 0.74 LRRK2 (0.49) —
SCHEMBL24964824 0.71 LMNA (0.54) LMNAIDO1POLBCES2CES1
SCHEMBL3554899 0.71 PRSS1 (0.50) UHRF1UBE2T
SCHEMBL24964826 0.71 LMNA (0.37) LMNAMAP4K4IDO1POLB
Hydrochloric Acid SCHEMBL20269638 0.70 PRSS1 (0.48) UHRF1UBE2T
SCHEMBL21745897 0.69 UHRF1 (0.48) CCR9LMNAPROKR1UHRF1UBE2T

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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