SCHEMBL24615541

SCHEMBL24615541

Cn1cc(-c2cc3c(N4CC5CCC(C4)N5)ccnc3[nH]2)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.48
▸ AURKB Q96GD4 3/20 0.48
▸ INCENP Q9NQS7 3/20 0.48
▸ TPX2 Q9ULW0 3/20 0.48
▸ TBK1 Q9UHD2 2/20 0.45
▸ KIT P10721 12/20 0.44
▸ MAPT P10636 1/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CDC42BPA Q5VT25 1/20 0.41
▸ CDC42BPB Q9Y5S2 1/20 0.41
▸ PRMT5 O14744 1/20 0.41

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
Hydrochloric Acid SCHEMBL29772761 0.99 AURKA (0.47) AURKAAURKBINCENPTPX2TBK1
SCHEMBL24615321 0.85 KIT (0.47) KIT
SCHEMBL24615318 0.82 KIT (0.59) KIT
SCHEMBL27280802 0.82 AURKA (0.43) AURKAAURKBINCENPTPX2TBK1
Hydrochloric Acid SCHEMBL30726604 0.81 KIT (0.58) KIT
SCHEMBL24615337 0.81 JAK2 (0.52) AURKAAURKBINCENPTPX2KIT
SCHEMBL29772793 0.81 JAK2 (0.52) AURKAAURKBINCENPTPX2KIT
SCHEMBL30559880 0.81 PIM1 (0.51) AURKAAURKBINCENPTPX2KIT
SCHEMBL24615553 0.80 PBK (0.38) AURKAAURKBINCENPTPX2ROCK2
SCHEMBL24615543 0.80 CSNK1D (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006493-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2024-01-04 — — WO disclosed
WO-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 — — WO disclosed
Send feedback