SCHEMBL29328811

SCHEMBL29328811

Cc1cc(C(F)(F)F)ccc1CCOc1cc(C#N)nc(Nc2ccc3c(F)c[nH]c3c2)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.32
NTRK1 P04629 2/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
MET P08581 1/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TRPA1 O75762 1/20 0.31
GALR2 O43603 1/20 0.31
CHEK1 O14757 1/20 0.31
MCL1 Q07820 1/20 0.30
TBXAS1 P24557 1/20 0.30
IDH1 O75874 1/20 0.30
CDK4 P11802 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL30938633 0.89 SIRT2 (0.35) METTRPA1GALR2CHEK1
SCHEMBL29330952 0.89 SIRT2 (0.35) METTRPA1GALR2CHEK1
SCHEMBL30938642 0.89 SIRT2 (0.35) METTRPA1GALR2CHEK1
SCHEMBL29330500 0.88 P2RY14 (0.35) CDK2TRPA1GALR2CDK4KDM4E
SCHEMBL29333406 0.85 SIRT2 (0.35) METGALR2KDM4EGAAHPGD
SCHEMBL29330495 0.83 IMPDH2 (0.38) MET
SCHEMBL29330502 0.82 KCNH2 (0.39) METTRPA1GALR2
SCHEMBL29329939 0.82 APP (0.38) NTRK3METTRPA1
SCHEMBL29328813 0.82 CDK4 (0.33) CDK2METTRPA1GALR2CDK4
SCHEMBL29331093 0.81 KDM4E (0.35) METMAPTKDM4EGAAHPGD

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