SCHEMBL31293777

SCHEMBL31293777

Cn1ccn2ncc(C(=O)N3CC4(CC(NC(=O)Nc5cc(C6CC6)ccn5)C4)C3)c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.36
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
BTK Q06187 3/20 0.32
SPR P35270 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
SCHEMBL31293970 0.86 HCRTR2 (0.35) MAPK1WNT1GSK3BDYRK1A
SCHEMBL31293650 0.86 SYK (0.41) BTK
SCHEMBL31293681 0.86 GSK3B (0.36) MAPK1WNT1GSK3BDYRK1ABTK
SCHEMBL31293944 0.85 KDR (0.37) WNT1GSK3BDYRK1A
SCHEMBL31293994 0.84 CXCR3 (0.33)
SCHEMBL31293908 0.81 WNT1 (0.33) WNT1GSK3BDYRK1A
SCHEMBL31293632 0.81 SMARCA2 (0.39) SPR
SCHEMBL31293483 0.80 SYK (0.35)
SCHEMBL31293964 0.79 HCRTR1 (0.38)
SCHEMBL31293931 0.79 LMNA (0.32)

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-4724439-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2026-04-15 EP claimed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO claimed