SCHEMBL24963385

SCHEMBL24963385

C/C(N)=C(/C(=N)c1ccncc1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NT5E P21589 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP19A1 P11511 2/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24964991 0.83 CES2 (0.48) LMNAKMT2AGAAMAPTPOLB
SCHEMBL24963538 0.81 CCR9 (0.38) LMNAPOLBCES2CES1
SCHEMBL24963419 0.81 LMNA (0.36) LMNAKMT2AMEN1MAPK1MAPT
SCHEMBL24964826 0.80 LMNA (0.37) LMNAKMT2AMEN1NT5EPOLB
SCHEMBL24963420 0.78 LMNA (0.41) LMNAMAPK1POLBCES2CES1
SCHEMBL24964808 0.78 CNR1 (0.37) LMNAPOLB
SCHEMBL24964824 0.77 LMNA (0.54) LMNAKMT2AMEN1MAPK1MAPT
SCHEMBL24962589 0.75 PROKR1 (0.39) LMNAGAAPOLBSMN1; SMN2
SCHEMBL24962584 0.74 LMNA (0.50) LMNAMAPK1MAPTPOLBPTGS1
SCHEMBL24962592 0.73 KMT2A (0.44) LMNAKMT2AMEN1NT5EMAPK1

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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