SCHEMBL27280802

SCHEMBL27280802

Cn1cc(-c2cc3c(N4CC5CCC(C4)N5[C@H]4C[C@H](C)C4)ccnc3[nH]2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ INCENP Q9NQS7 2/20 0.43
▸ TPX2 Q9ULW0 2/20 0.43
▸ TBK1 Q9UHD2 2/20 0.43
▸ KIT P10721 14/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAPT P10636 1/20 0.38

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
SCHEMBL27280799 0.89 JAK2 (0.54) AURKAAURKBINCENPTPX2TBK1
SCHEMBL30726672 0.89 JAK2 (0.54) AURKAAURKBINCENPTPX2TBK1
SCHEMBL30726670 0.89 JAK2 (0.54) AURKAAURKBINCENPTPX2TBK1
SCHEMBL27280792 0.89 JAK2 (0.54) AURKAAURKBINCENPTPX2TBK1
SCHEMBL24615337 0.82 JAK2 (0.52) AURKAAURKBINCENPTPX2KIT
SCHEMBL29772793 0.82 JAK2 (0.52) AURKAAURKBINCENPTPX2KIT
SCHEMBL27280774 0.82 KIT (0.45) KIT
SCHEMBL24615541 0.82 AURKA (0.48) AURKAAURKBINCENPTPX2TBK1
Hydrochloric Acid SCHEMBL29772761 0.81 AURKA (0.47) AURKAAURKBINCENPTPX2TBK1
SCHEMBL24615501 0.81 TYK2 (0.55) AURKAAURKBINCENPTPX2KIT

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-2024006493-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2024-01-04 — — WO disclosed
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