SCHEMBL30953376

SCHEMBL30953376

CC(C)(C)OC(=O)Nc1cc([C@H](N)C2CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.41
▸ AAK1 Q2M2I8 6/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NR3C2 P08235 2/20 0.39
▸ ATR Q13535 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ MAPK1 P28482 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
SCHEMBL15070169 0.81 ATR (0.44) TGFBR1AAK1GSK3BDYRK1AATR
SCHEMBL2808080 0.81 ATR (0.44) TGFBR1AAK1GSK3BDYRK1ANR3C2
SCHEMBL22945805 0.80 ATR (0.43) TGFBR1AAK1GSK3BDYRK1AATR
SCHEMBL27962539 0.80 ATR (0.43) AAK1GSK3BDYRK1AATRIRAK4
SCHEMBL28741827 0.80 ATR (0.43) TGFBR1AAK1GSK3BDYRK1AATR
SCHEMBL29626780 0.80 ATR (0.43) TGFBR1AAK1GSK3BDYRK1AATR
SCHEMBL30953559 0.80 AAK1 (0.42) AAK1ATRCYP3A4IRAK4
SCHEMBL30953364 0.79 GSK3B (0.38) TGFBR1AAK1GSK3BDYRK1ANR3C2
SCHEMBL27955914 0.79 ATR (0.42) TGFBR1AAK1GSK3BDYRK1AATR
SCHEMBL30953539 0.77 IGF1R (0.36) TGFBR1AAK1GSK3BDYRK1ANR3C2

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-4630115-A1 THERAPEUTIC COMPOUNDS Sanofi (FR) 2025-10-15 — — EP disclosed
WO-2024121427-A1 THERAPEUTIC COMPOUNDS SANOFI (FR) 2024-06-13 — — WO disclosed
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