SCHEMBL31078732

SCHEMBL31078732

COC(=O)c1sc(Cl)cc1OC1CCN(C(=O)OC(C)(C)C)CC1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ PDE4B Q07343 1/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ STS P08842 8/20 0.38
▸ EED O75530 1/20 0.38
▸ RBBP4 Q09028 1/20 0.38
▸ SUZ12 Q15022 1/20 0.38
▸ EZH2 Q15910 1/20 0.38
▸ AEBP2 Q6ZN18 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL31078689 0.90 PDE4B (0.39) IKBKETBK1PDE4BNTRK1KCNH2
SCHEMBL31078515 0.84 PDE4B (0.48) PDE4BALDH1A1STSEEDRBBP4
SCHEMBL31078529 0.76 GPR119 (0.45) PDE4B
SCHEMBL30590963 0.76 PDE4B (0.46) IKBKETBK1PDE4BNTRK1KCNH2
SCHEMBL31352847 0.76 PDE4B (0.46) IKBKETBK1PDE4BNTRK1KCNH2
SCHEMBL31078971 0.75 ABHD6 (0.39) PDE4BSTS
SCHEMBL19527777 0.75 PDE4B (0.43) IKBKETBK1PDE4BNTRK1KCNH2
SCHEMBL31078846 0.74 PDE4B (0.35) PDE4BALDH1A1STSEEDRBBP4
SCHEMBL30590958 0.73 PDE4B (0.44) IKBKETBK1PDE4BSCN9AALDH1A1
SCHEMBL31078850 0.73 LSS (0.44) ALDH1A1MAPT

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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