SCHEMBL31293908

SCHEMBL31293908

Cn1ccn2ncc(C(=O)N3CC4(CC(NC(=O)Nc5cc(C(F)(F)F)ncn5)C4)C3)c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.33
GSK3B P49841 2/20 0.33
DYRK1A Q13627 2/20 0.33
EPHX2 P34913 1/20 0.32
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
ROCK2 O75116 1/20 0.30

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
SCHEMBL31293650 0.87 SYK (0.41) EPHX2KDR
SCHEMBL31294073 0.87 WNT1 (0.32) WNT1GSK3BDYRK1A
SCHEMBL31293639 0.87 GSK3B (0.33) WNT1GSK3BDYRK1A
SCHEMBL31293632 0.86 SMARCA2 (0.39) KDR
SCHEMBL31293942 0.86 EPHX2 (0.31) WNT1GSK3BDYRK1AEPHX2
SCHEMBL31293944 0.84 KDR (0.37) WNT1GSK3BDYRK1AEPHX2BRAF
SCHEMBL31293483 0.84 SYK (0.35) ROCK2
SCHEMBL31293682 0.84 EPHX2 (0.31) EPHX2
SCHEMBL31293964 0.83 HCRTR1 (0.38) EPHX2ROCK2
SCHEMBL31293635 0.82 EPHX2 (0.33) EPHX2ROCK2

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