SCHEMBL29323903

SCHEMBL29323903

COC(=O)c1ncc(-c2cnccn2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.40
PORCN Q9H237 1/20 0.38
ABL1 P00519 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
CYP17A1 P05093 3/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
METAP1 P53582 1/20 0.36
MAP4K1 Q92918 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL29323901 0.77 AAK1 (0.46) ATRAAK1CYP17A1RAB9AMETAP1
SCHEMBL21339691 0.77 ATR (0.42) ATRABL1METAP1BRD9KDM4E
SCHEMBL23500611 0.77 ATR (0.42) ATRAAK1CYP17A1METAP1BRD9
SCHEMBL30118372 0.76 AAK1 (0.48) PORCNABL1AAK1CYP17A1HDAC3
SCHEMBL29060089 0.75 RXFP1 (0.44) ATRRAB9AMETAP1KDM4EHTT
SCHEMBL27039833 0.74 PORCN (0.50) PORCNABL1AAK1TGFBR1
SCHEMBL6365954 0.72 ALDH1A1 (0.45) RAB9ANAMPTMETAP1BRD9KDM4E
SCHEMBL20911219 0.72 NAMPT (0.46) CYP17A1NAMPT
SCHEMBL4345991 0.71 METAP1 (0.62) ATRCYP17A1RAB9ANAMPTMETAP1
SCHEMBL29686286 0.71 TYK2 (0.39) ATRAAK1CYP17A1NAMPTMETAP1

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
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed