SCHEMBL29907199

SCHEMBL29907199

COc1ccc(Cn2nc(I)c3nc(-c4cccc(C)c4F)c(OC)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 5/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
PIK3CD O00329 4/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CCR4 P51679 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
OPRK1 P41145 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
SCHEMBL23210995 1.00 BUB1 (0.39) BUB1KDM4EALDH1A1POLBGAA
SCHEMBL23210986 0.90 BUB1 (0.39) BUB1KDM4EALDH1A1KMT2APIK3CD
SCHEMBL29907069 0.90 BUB1 (0.39) BUB1KDM4EALDH1A1KMT2APIK3CD
SCHEMBL23211078 0.85 BUB1 (0.35) BUB1KDM4EALDH1A1KMT2APIK3CD
SCHEMBL29907060 0.84 PIK3CD (0.36) BUB1KDM4EALDH1A1HTTKMT2A
SCHEMBL23211015 0.84 PIK3CD (0.36) BUB1KDM4EALDH1A1HTTKMT2A
SCHEMBL29907043 0.83 BUB1 (0.36) BUB1GAAHTTKMT2ANPSR1
SCHEMBL23210936 0.83 BUB1 (0.36) BUB1GAAHTTKMT2ANPSR1
SCHEMBL23210943 0.76 BUB1 (0.42) BUB1KDM4EALDH1A1POLBGAA
SCHEMBL29907070 0.76 BUB1 (0.42) BUB1KDM4EALDH1A1POLBGAA

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
CN-115835908-A Bicyclic heterocycles as FGFR inhibitors 因赛特公司 2023-03-21 CN disclosed
EP-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed