SCHEMBL22735900

SCHEMBL22735900

OC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)(C1CCCC1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.33
▸ GRM4 Q14833 3/20 0.32
▸ JAK1 P23458 1/20 0.31
▸ AR P10275 1/20 0.31
▸ GCG P01275 3/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ KDM4B O94953 1/20 0.30
▸ KDM5C P41229 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ INCENP Q9NQS7 1/20 0.30
▸ TPX2 Q9ULW0 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
SCHEMBL29480513 1.00 HDAC4 (0.33) HDAC4GRM4JAK1ARGCG
SCHEMBL29480492 0.99 HDAC4 (0.33) HDAC4GRM4JAK1ARGCG
SCHEMBL22716786 0.99 HDAC4 (0.33) HDAC4GRM4JAK1ARGCG
SCHEMBL22736027 0.96 HDAC4 (0.34) HDAC4GRM4JAK1AURKAAURKB
SCHEMBL29480597 0.96 HDAC4 (0.34) HDAC4GRM4JAK1AURKAAURKB
SCHEMBL22716875 0.93 MELK (0.34) HDAC4GRM4
SCHEMBL29480614 0.93 MELK (0.34) HDAC4GRM4
SCHEMBL22735905 0.92 GCG (0.33) HDAC4GRM4GCGKDM4AKDM4B
SCHEMBL29480598 0.92 GCG (0.33) HDAC4GRM4GCGKDM4AKDM4B
SCHEMBL22735904 0.92 KDM4A (0.36) HDAC4GRM4KDM4AKDM4BKDM5C

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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