SCHEMBL29239449

SCHEMBL29239449

CC(C)c1cnc(C(=O)NC2CC(C)(O)C2)c2cnc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.41
CNR2 P34972 8/20 0.35
TNF P01375 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
SCN9A Q15858 2/20 0.33
GRM4 Q14833 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL24811744 1.00 HPGDS (0.41) HPGDSCNR2TNFIRAK4SCN9A
SCHEMBL24813085 0.85 ADORA2B (0.39) HPGDSCNR2
SCHEMBL30865616 0.85 ADORA2B (0.39) HPGDSCNR2
SCHEMBL30865627 0.82 CNR2 (0.48) HPGDSCNR2
SCHEMBL24811650 0.82 CNR2 (0.48) HPGDSCNR2
SCHEMBL24811658 0.81 CNR2 (0.35) CNR2IRAK4
SCHEMBL30865622 0.81 CNR2 (0.35) CNR2IRAK4
SCHEMBL24810635 0.80 IRAK4 (0.35) CNR2IRAK4
SCHEMBL30164503 0.80 IRAK4 (0.35) CNR2IRAK4
SCHEMBL24810238 0.79 HTR4 (0.39)

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
CN-117916232-A Heterocyclic EGFR inhibitors for the treatment of cancer 缆图药品公司 2024-04-19 CN disclosed