SCHEMBL30867707

SCHEMBL30867707

C[C@@H]1[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)CN1c1cc(F)nc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ GPR119 Q8TDV5 9/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ STS P08842 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34

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
SCHEMBL38654229 0.89 KHK (0.38) KHKHDAC6HDAC4GPR119MAPT
SCHEMBL30867722 0.89 KHK (0.38) KHKHDAC6HDAC4GPR119MAPT
SCHEMBL30867845 0.85 DPP4 (0.37) HDAC6GPR119ABCB1MAPTHTT
SCHEMBL31283018 0.84 KHK (0.40) KHKHDAC6HDAC4GPR119MAPT
SCHEMBL38652987 0.83 GPR119 (0.42) HDAC6HDAC4GPR119MAPTSTS
SCHEMBL31283436 0.82 KHK (0.38) KHKHDAC4GPR119ABCB1CKS1B
SCHEMBL31283201 0.81 GPR119 (0.38) KHKHDAC6HDAC4GPR119HDAC8
SCHEMBL31283060 0.81 KHK (0.38) KHKHDAC6HDAC4GPR119HTT
SCHEMBL31282893 0.81 KHK (0.38) KHKGPR119MAPTCKS1BSKP1
SCHEMBL31284201 0.81 KHK (0.39) KHKGPR119CKS1BSKP1SKP2

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-4598917-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 — — WO disclosed
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