SCHEMBL30967622

SCHEMBL30967622

Cc1nc(-c2ccc3ccnc(N[C@@H](CN)CN4CCn5c(cc6c(OCC(F)(F)F)nccc65)C4=O)c3c2)no1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ IDH1 O75874 2/20 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
SCHEMBL30967660 1.00 HDAC1 (0.31) HDAC1HDAC8HDAC6IDH1
SCHEMBL30967641 0.91 KIFC1 (0.31) —
SCHEMBL30967624 0.87 BTK (0.33) IDH1
SCHEMBL30967521 0.86 — —
SCHEMBL30967598 0.86 — —
SCHEMBL30967538 0.86 CACNA2D1 (0.32) HDAC1HDAC8HDAC6
SCHEMBL30967635 0.85 GPR119 (0.30) —
SCHEMBL30967523 0.85 STAT3 (0.31) HDAC1HDAC8HDAC6
SCHEMBL30967492 0.80 HDAC1 (0.31) HDAC1HDAC8HDAC6
SCHEMBL30967560 0.78 SCARB1 (0.34) —

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
Send feedback