SCHEMBL22735709

SCHEMBL22735709

CN1CCC([C@](O)(c2ccc(-n3cc(-c4ccnc5[nH]cnc45)cn3)nc2)C(F)(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.34
▸ KDM4B O94953 2/20 0.34
▸ KDM5C P41229 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.34
▸ MELK Q14680 3/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ HASPIN Q8TF76 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ INCENP Q9NQS7 1/20 0.31
▸ TPX2 Q9ULW0 1/20 0.31
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL29480604 1.00 KDM4A (0.34) KDM4AKDM4BKDM5CKDM5BMELK
SCHEMBL22735710 1.00 KDM4A (0.34) KDM4AKDM4BKDM5CKDM5BMELK
SCHEMBL29480533 1.00 KDM4A (0.34) KDM4AKDM4BKDM5CKDM5BMELK
SCHEMBL22735904 0.95 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BMELK
SCHEMBL29480485 0.95 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BMELK
SCHEMBL29480499 0.94 AURKA (0.33) KDM4AKDM4BKDM5CKDM5BAURKA
SCHEMBL22736502 0.94 AURKA (0.33) KDM4AKDM4BKDM5CKDM5BAURKA
SCHEMBL22736027 0.90 HDAC4 (0.34) AURKAAURKBINCENPTPX2HDAC4
SCHEMBL29480597 0.90 HDAC4 (0.34) AURKAAURKBINCENPTPX2HDAC4
SCHEMBL22736498 0.90 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5B

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-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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