SCHEMBL30938620

SCHEMBL30938620

CC(C)(C)OC(=O)Nc1cc(Nc2cc(Cl)nc(C#N)c2)ccc1CF

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.38
▸ P2RX3 P56373 4/20 0.36
▸ TTK P33981 1/20 0.35
▸ AR P10275 2/20 0.34
▸ CDK1 P06493 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ EGLN2 Q96KS0 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ AAK1 Q2M2I8 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
SCHEMBL29185132 0.79 EGLN2 (0.44) MAPKAPK2TTKEGLN2CYP17A1
SCHEMBL9909941 0.67 EGLN2 (0.44) MAPKAPK2TTKEGLN2CYP17A1
SCHEMBL17230177 0.66 IDO1 (0.46) —
SCHEMBL24003976 0.66 SYK (0.48) CDK1EGFREGLN2JAK2JAK1
SCHEMBL1368674 0.66 S1PR2 (0.58) MAPKAPK2CYP17A1
SCHEMBL17230172 0.65 KCNQ4 (0.47) CYP17A1
SCHEMBL2961095 0.65 EGLN2 (0.47) AREGLN2JAK2JAK1CYP17A1
SCHEMBL3438586 0.65 CA12 (0.44) CYP17A1
SCHEMBL29529712 0.65 EGLN2 (0.47) AREGLN2JAK2JAK1CYP17A1
SCHEMBL6681859 0.64 KMT2A (0.43) MAPKAPK2AREGLN2CYP17A1

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
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