SCHEMBL29328813

SCHEMBL29328813

CC(COc1cc(C#N)nc(Nc2ccc3c(F)c[nH]c3c2)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.33
CDK2 P24941 2/20 0.33
TRPV4 Q9HBA0 2/20 0.32
MET P08581 2/20 0.32
TRPA1 O75762 1/20 0.32
GALR2 O43603 1/20 0.31
DHODH Q02127 1/20 0.31
P2RY14 Q15391 1/20 0.30
HTR2B P41595 1/20 0.30
APP P05067 1/20 0.30
CDK1 P06493 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
SCHEMBL29330168 0.88 GALR2 (0.33) METTRPA1GALR2DHODHAPP
SCHEMBL29330500 0.87 P2RY14 (0.35) CDK4CDK2TRPA1GALR2P2RY14
SCHEMBL29330495 0.86 IMPDH2 (0.38) METP2RY14
SCHEMBL29330502 0.84 KCNH2 (0.39) METTRPA1GALR2APPCDK1
SCHEMBL30938642 0.84 SIRT2 (0.35) METTRPA1GALR2P2RY14APP
SCHEMBL29330952 0.84 SIRT2 (0.35) METTRPA1GALR2P2RY14APP
SCHEMBL30938633 0.84 SIRT2 (0.35) METTRPA1GALR2P2RY14APP
SCHEMBL29332780 0.84 MET (0.33) METGALR2DHODHHTR2BAPP
SCHEMBL29328811 0.82 CDK2 (0.32) CDK4CDK2METTRPA1GALR2
SCHEMBL29331093 0.78 KDM4E (0.35) METAPP

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