SCHEMBL29847883

SCHEMBL29847883

Fc1ccc(OCCN2CCOCC2)cc1-c1cccc2cnc(Nc3ccc(N4CCNCC4)nc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.47
▸ EGFR P00533 5/20 0.45
▸ BTK Q06187 1/20 0.45
▸ JUN P05412 2/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ AXL P30530 1/20 0.42
▸ ITK Q08881 2/20 0.41
▸ AIMP2 Q13155 1/20 0.41
▸ SRC P12931 2/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ WEE1 P30291 1/20 0.40
▸ MAPK14 Q16539 2/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL16514888 1.00 SYK (0.47) SYKEGFRBTKJUNMAPK8
SCHEMBL16822982 0.95 SYK (0.49) SYKEGFRBTKJUNMAPK8
SCHEMBL29847780 0.95 SYK (0.49) SYKEGFRBTKJUNMAPK8
SCHEMBL16514147 0.94 SYK (0.47) SYKEGFRBTKJUNMAPK8
SCHEMBL29847785 0.94 SYK (0.47) SYKEGFRBTKJUNMAPK8
SCHEMBL29848065 0.92 JUN (0.48) SYKEGFRBTKJUNMAPK8
SCHEMBL16514508 0.92 JUN (0.48) SYKEGFRBTKJUNMAPK8
SCHEMBL16514910 0.89 BACE1 (0.43) SYKEGFRBTKBACE1AXL
SCHEMBL29848464 0.89 SYK (0.43) SYKEGFRBTKBACE1AXL
SCHEMBL16515383 0.89 SYK (0.43) SYKEGFRBTKBACE1AXL

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
Send feedback