SCHEMBL31361289

SCHEMBL31361289

Cc1cc(C#N)nn1-c1nc(Cl)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.40
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 3/20 0.35
LRRK2 Q5S007 1/20 0.33
CTSS P25774 2/20 0.33
HSP90AA1 P07900 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AR P10275 2/20 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
SCHEMBL31361244 0.91 GRM2 (0.34) GRM2NOTUMKDM4EAR
SCHEMBL31361126 0.81 MBOAT4 (0.34) GRM2KDM4ECTSS
SCHEMBL31078137 0.81 RPS6KA5 (0.40) KDM4EHTTKMT2ANPSR1AR
SCHEMBL25867032 0.80 MEN1 (0.36) KDM4EKMT2A
SCHEMBL30986426 0.80 KDM4E (0.33) KDM4E
SCHEMBL31361145 0.80 GRM2 (0.40) GRM2NOTUMKDM4ELRRK2HSP90AA1
SCHEMBL29311582 0.80 KDM4E (0.33) KDM4ETP53
SCHEMBL31361119 0.79 KDM4E (0.38) KDM4ELMNATP53HTTKMT2A
SCHEMBL25318477 0.77 MEN1 (0.37) KDM4EMAPK1KMT2ASMN1; SMN2
SCHEMBL30508839 0.77 ALDH1A1 (0.33) KDM4ETP53KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746965-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025017041-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed