SCHEMBL22736348

SCHEMBL22736348

CC(=O)N1CCC(C(O)(c2ccc(-n3cc(-c4ccnc(N)c4[N+](=O)[O-])cn3)nc2)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 17/20 0.37
▸ TAB1 Q15750 17/20 0.37
▸ MAP3K12 Q12852 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GRM4 Q14833 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
SCHEMBL29480761 1.00 MAP3K7 (0.37) MAP3K7TAB1MAP3K12MEN1KMT2A
SCHEMBL29480757 0.92 CYP3A4 (0.31) —
SCHEMBL22736147 0.92 CYP3A4 (0.31) —
SCHEMBL22735757 0.91 HDAC4 (0.33) MEN1KMT2AGRM4
SCHEMBL29480733 0.91 HDAC4 (0.33) MEN1KMT2AGRM4
SCHEMBL22735756 0.91 CCNT1 (0.35) —
SCHEMBL29568176 0.91 CCNT1 (0.35) —
SCHEMBL22735955 0.90 MAP3K7 (0.37) MAP3K7TAB1MAP3K12GRM4
SCHEMBL29480769 0.90 MAP3K7 (0.37) MAP3K7TAB1MAP3K12GRM4
SCHEMBL29480700 0.88 MELK (0.31) —

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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