SCHEMBL29907103

SCHEMBL29907103

COc1ccc(Cn2nc(-c3ccc(N4CCNCC4)nc3)c3nc(-c4cccc5c4CCC5)c(OC)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.44
MERTK Q12866 3/20 0.38
NTRK1 P04629 2/20 0.37
AURKA O14965 2/20 0.37
SRC P12931 2/20 0.37
AXL P30530 2/20 0.37
FLT3 P36888 2/20 0.37
PLK1 P53350 1/20 0.37
IL2 P60568 1/20 0.36
MAP4K1 Q92918 1/20 0.36
HTR3A P46098 1/20 0.35
BCL2A1 Q16548 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL23210766 1.00 RET (0.44) RETMERTKNTRK1AURKASRC
SCHEMBL29008856 0.91 BUB1 (0.36) RETMEN1KMT2A
SCHEMBL29907154 0.88 RET (0.36) RET
SCHEMBL23210675 0.88 RET (0.36) RET
SCHEMBL23210959 0.87 BUB1 (0.38) MEN1KMT2A
SCHEMBL23210794 0.87 BUB1 (0.38) MEN1KMT2A
SCHEMBL29907110 0.87 BUB1 (0.38) MEN1KMT2A
SCHEMBL29907093 0.87 BUB1 (0.38) MEN1KMT2A
SCHEMBL23210911 0.87 BUB1 (0.34) PLK1
SCHEMBL29907158 0.87 BUB1 (0.34) PLK1

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