SCHEMBL29664416

SCHEMBL29664416

O=C(Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.62
CD63 P08962 2/20 0.62
AURKA O14965 2/20 0.62
RAF1 P04049 10/20 0.60
BRAF P15056 10/20 0.60
EPHB4 P54760 1/20 0.56
BTK Q06187 2/20 0.52
JAK2 O60674 1/20 0.52
NTRK1 P04629 1/20 0.52
ROS1 P08922 1/20 0.52
CSNK2A2 P19784 1/20 0.52
FLT3 P36888 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
PTK6 Q13882 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52

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
SCHEMBL24864087 1.00 SYK (0.62) SYKCD63AURKARAF1BRAF
SCHEMBL2543802 0.84 SYK (0.74) SYKCD63AURKABRAFBTK
SCHEMBL4336940 0.82 SYK (0.68) SYKCD63AURKABTKJAK2
SCHEMBL3795040 0.81 AURKA (0.64) SYKCD63AURKABTKJAK2
SCHEMBL4808681 0.81 BTK (0.78) SYKCD63AURKABTKJAK2
SCHEMBL23911841 0.81 AURKA (0.70) SYKCD63AURKABTKJAK2
SCHEMBL2481740 0.80 SYK (0.80) SYKCD63AURKABTKJAK2
SCHEMBL3803344 0.80 SYK (0.71) SYKCD63AURKABTKJAK2
SCHEMBL24864095 0.80 AURKA (0.60) SYKCD63AURKAEPHB4BTK
SCHEMBL2482740 0.79 SYK (0.74) SYKCD63AURKABTKJAK2

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
CN-113480543-B 2,6, 8-polysubstituted imidazo [1,2-a ] pyrazine and synthetic method and application thereof 无锡市第二人民医院 2022-05-17 CN disclosed