SCHEMBL29323901

SCHEMBL29323901

COC(=O)c1ncc(Br)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.46
ATR Q13535 1/20 0.42
METAP1 P53582 1/20 0.38
LCK P06239 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RORC P51449 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRK1 P41145 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP17A1 P05093 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
SCHEMBL12358958 0.88 AAK1 (0.44) AAK1ATRMETAP1LCKSMN1; SMN2
SCHEMBL4900478 0.87 AAK1 (0.47) AAK1ATRMETAP1LCKMAPK1
SCHEMBL24070144 0.87 AAK1 (0.47) AAK1LCKSMN1; SMN2KDM4ECYP1A2
SCHEMBL23500611 0.84 ATR (0.42) AAK1ATRMETAP1RORCLMNA
SCHEMBL21339691 0.84 ATR (0.42) ATRMETAP1LCKMAPK1KDM4E
SCHEMBL30307813 0.83 KDM4E (0.46) MAPK1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL20502298 0.83 KDM4E (0.46) MAPK1SMN1; SMN2KDM4ELMNANPC1
SCHEMBL21500091 0.82 AAK1 (0.49) AAK1ATRMETAP1LCKSMN1; SMN2
SCHEMBL29527107 0.82 AAK1 (0.49) AAK1ATRMETAP1LCKSMN1; SMN2
SCHEMBL30673292 0.82 AAK1 (0.46) AAK1ATRMETAP1LCKSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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