SCHEMBL31293483

SCHEMBL31293483

Cn1ccn2ncc(C(=O)N3CC4(CC(NC(=O)Nc5nccc(C(F)(F)F)n5)C4)C3)c12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
HSD11B1 P28845 1/20 0.34
TGFBR1 P36897 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
ROCK2 O75116 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 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
SCHEMBL31293632 0.88 SMARCA2 (0.39)
SCHEMBL31293650 0.85 SYK (0.41) SYKHCRTR1HCRTR2
SCHEMBL31293942 0.84 EPHX2 (0.31) HCRTR1HCRTR2
SCHEMBL31293908 0.84 WNT1 (0.33) ROCK2
SCHEMBL31293944 0.83 KDR (0.37) CCNCCDK8
SCHEMBL31293682 0.82 EPHX2 (0.31)
SCHEMBL31293845 0.81 EPHX2 (0.48) CDK8
SCHEMBL31293481 0.81 CXCR3 (0.41)
SCHEMBL31293964 0.81 HCRTR1 (0.38) HCRTR1HCRTR2ROCK2
SCHEMBL31293770 0.81 EPHX2 (0.37) CCNCCDK8

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 disclosed
WO-2024251855-A1 HETEROARYL DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-12-12 WO disclosed