SCHEMBL29568176

SCHEMBL29568176

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ RET P07949 5/20 0.35
▸ GPR119 Q8TDV5 8/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ SYK P43405 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL22735756 1.00 CCNT1 (0.35) CCNT1CDK9TNK2RETGPR119
SCHEMBL29480761 0.91 MAP3K7 (0.37) —
SCHEMBL22736348 0.91 MAP3K7 (0.37) —
SCHEMBL22736147 0.89 CYP3A4 (0.31) —
SCHEMBL29480757 0.89 CYP3A4 (0.31) —
SCHEMBL29480733 0.89 HDAC4 (0.33) —
SCHEMBL22735757 0.89 HDAC4 (0.33) —
SCHEMBL29480700 0.85 MELK (0.31) —
SCHEMBL22735955 0.81 MAP3K7 (0.37) —
SCHEMBL29480769 0.81 MAP3K7 (0.37) —

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
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
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