SCHEMBL22735711

SCHEMBL22735711

CC(=O)N1CC(C(O)(c2ccc(-n3cc(-c4ccnc5[nH]cnc45)cn3)nc2)C(F)(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.34
▸ CCNT1 O60563 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ JAK1 P23458 1/20 0.31
▸ JAK2 O60674 2/20 0.30
▸ GCGR P47871 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
SCHEMBL29480666 1.00 HDAC4 (0.34) HDAC4CCNT1CDK9JAK1JAK2
SCHEMBL22735730 0.92 MAP3K12 (0.34) HDAC4CCNT1CDK9JAK1JAK2
SCHEMBL29567334 0.92 HDAC4 (0.33) HDAC4CCNT1CDK9JAK1
SCHEMBL29480650 0.92 MAP3K12 (0.34) HDAC4CCNT1CDK9JAK1JAK2
SCHEMBL22736022 0.92 HDAC4 (0.33) HDAC4CCNT1CDK9JAK1
SCHEMBL22736502 0.90 AURKA (0.33) HDAC4
SCHEMBL29480499 0.90 AURKA (0.33) HDAC4
SCHEMBL29480597 0.88 HDAC4 (0.34) HDAC4JAK1JAK2
SCHEMBL22736027 0.88 HDAC4 (0.34) HDAC4JAK1JAK2
SCHEMBL22735866 0.88 KDM4A (0.33) HDAC4CDK9GCGR

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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