SCHEMBL30967508

SCHEMBL30967508

[2H]C1([2H])N(CCNC(=O)OC(C)(C)C)C(=O)c2cc3c(OCC(F)(F)F)nccc3n2C1([2H])[2H]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ DDB1 Q16531 2/20 0.32
▸ CRBN Q96SW2 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ PARG Q86W56 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2B6 P20813 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
SCHEMBL30967546 0.90 DYRK1A (0.36) DYRK1ACYP11B1CYP11B2CCNT1CDK9
SCHEMBL30967631 0.81 SCN9A (0.34) SCN9A
Hydrochloric Acid SCHEMBL30967494 0.81 SCN9A (0.33) SCN9A
SCHEMBL30967613 0.79 KIFC1 (0.38) —
SCHEMBL30967605 0.79 DYRK1A (0.37) DYRK1ACYP11B1CYP11B2CCNT1CDK9
SCHEMBL30967459 0.75 DYRK1A (0.42) DYRK1ACCNT1CDK9CSNK2A2CSNK2A1
SCHEMBL30967474 0.71 SCN9A (0.32) SCN9A
SCHEMBL30967529 0.71 HRH3 (0.32) HCRTR2SCN9A
SCHEMBL30967468 0.71 — —
SCHEMBL30967485 0.70 SCN9A (0.35) SCN9ACYP2D6

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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