SCHEMBL22735867

SCHEMBL22735867

CC(C)N1CCC(C(O)(c2ccc(-n3cc(-c4ccnc5[nH]cnc45)cn3)nc2)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.39
▸ KDM4B O94953 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.34
▸ HDAC4 P56524 1/20 0.30

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
SCHEMBL29480468 1.00 KDM4A (0.39) KDM4AKDM4BKDM5CKDM5BHRH3
SCHEMBL22716900 0.95 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BHRH3
SCHEMBL29480475 0.95 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BHRH3
SCHEMBL29480549 0.95 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BHRH3
SCHEMBL22716899 0.95 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BHRH3
SCHEMBL22735712 0.92 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BHRH3
SCHEMBL29480584 0.92 KDM4A (0.33) KDM4AKDM4BKDM5CKDM5BHRH3
SCHEMBL22735904 0.91 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BHDAC4
SCHEMBL29480485 0.91 KDM4A (0.36) KDM4AKDM4BKDM5CKDM5BHDAC4
SCHEMBL22736027 0.91 HDAC4 (0.34) HDAC4

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
Send feedback