SCHEMBL22735905

SCHEMBL22735905

OC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)(C1CCOCC1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ MELK Q14680 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ GRM4 Q14833 2/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL29480598 1.00 GCG (0.33) GCGHDAC4MELKKDM4AKDM4B
SCHEMBL29480597 0.94 HDAC4 (0.34) HDAC4GRM4
SCHEMBL22736027 0.94 HDAC4 (0.34) HDAC4GRM4
SCHEMBL22735900 0.92 HDAC4 (0.33) GCGHDAC4KDM4AKDM4BKDM5C
SCHEMBL29480513 0.92 HDAC4 (0.33) GCGHDAC4KDM4AKDM4BKDM5C
SCHEMBL22716786 0.92 HDAC4 (0.33) GCGHDAC4GRM4
SCHEMBL29480492 0.92 HDAC4 (0.33) GCGHDAC4GRM4
SCHEMBL22716875 0.91 MELK (0.34) HDAC4MELKGRM4
SCHEMBL29480614 0.91 MELK (0.34) HDAC4MELKGRM4
SCHEMBL22735904 0.89 KDM4A (0.36) HDAC4MELKKDM4AKDM4BKDM5C

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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