SCHEMBL30967613

SCHEMBL30967613

[2H]C1([2H])N(CCNC(=O)c2cccc(-c3nnn(C)n3)c2)C(=O)c2cc3c(OCC(F)(F)F)nccc3n2C1([2H])[2H]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 1/20 0.38
▸ MAPK8 P45983 2/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MMP13 P45452 3/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ GPR52 Q9Y2T5 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ CAMK2D Q13557 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ DRD4 P21917 1/20 0.31

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
SCHEMBL30967528 0.92 KIFC1 (0.39) KIFC1MAPK8DRD3MMP13EPHX2
SCHEMBL30967469 0.87 KIFC1 (0.35) KIFC1MAPK8MMP13TYK2
SCHEMBL30967686 0.86 KIFC1 (0.35) KIFC1MAPK8DRD3MMP13KCNH2
SCHEMBL30967580 0.83 EPHX2 (0.34) KIFC1MAPK8EPHX2KCNH2SCN5A
SCHEMBL30967571 0.82 KIFC1 (0.41) KIFC1MAPK8DRD3MMP13TYK2
SCHEMBL30967488 0.81 KIFC1 (0.38) KIFC1MAPK8DRD3MMP13FYN
SCHEMBL30967456 0.80 DRD3 (0.44) KIFC1DRD3KCNH2
SCHEMBL30967629 0.80 DRD3 (0.44) KIFC1DRD3KCNH2
SCHEMBL30967508 0.79 DYRK1A (0.35) —
SCHEMBL30967493 0.78 KIFC1 (0.40) KIFC1MAPK8DRD3MMP13FYN

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-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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