SCHEMBL31078971

SCHEMBL31078971

COC(=O)c1sc(Cl)cc1OC1CC2(C1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 3/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ OXTR P30559 1/20 0.37
▸ AVPR1A P37288 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ PDE4B Q07343 7/20 0.36
▸ PDE4A P27815 3/20 0.36
▸ PDE4C Q08493 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ MGLL Q99685 2/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ STS P08842 2/20 0.33
▸ GPR183 P32249 1/20 0.33

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
SCHEMBL31078515 0.84 PDE4B (0.48) TOP2APDE4BPDE4APDE4CPDE4D
SCHEMBL31078577 0.81 DNMT1 (0.33) ABHD6EHMT2P2RX3P2RX2
SCHEMBL31078332 0.78 ATR (0.34) P2RX3P2RX2
SCHEMBL31078846 0.76 PDE4B (0.35) TOP2APDE4BPDE4APDE4CPDE4D
SCHEMBL30812200 0.76 PDE4B (0.44) ABHD6EHMT2P2RX3P2RX2OXTR
SCHEMBL31078732 0.75 IKBKE (0.41) PDE4BSTS
SCHEMBL25295322 0.74 ABHD6 (0.46) ABHD6OXTRAVPR1ATOP2APDE4B
SCHEMBL16770922 0.73 SCN9A (0.41) ABHD6OXTRAVPR1AMGLL
SCHEMBL31079077 0.72 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DSTS
SCHEMBL31078623 0.72 ROCK2 (0.37) TOP2APDE4BKDM1A

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-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 — — EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 — — WO disclosed
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