SCHEMBL30865622

SCHEMBL30865622

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.35
BRD4 O60885 1/20 0.34
PARP1 P09874 1/20 0.33
MAP4K1 Q92918 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
GRM5 P41594 1/20 0.32
EGFR P00533 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL24811658 1.00 CNR2 (0.35) CNR2BRD4PARP1MAP4K1IRAK4
SCHEMBL24813085 0.86 ADORA2B (0.39) CNR2BRD4
SCHEMBL30865616 0.86 ADORA2B (0.39) CNR2BRD4
SCHEMBL29239449 0.81 HPGDS (0.41) CNR2IRAK4
SCHEMBL24811744 0.81 HPGDS (0.41) CNR2IRAK4
SCHEMBL30865627 0.81 CNR2 (0.48) CNR2BRD4
SCHEMBL24811650 0.81 CNR2 (0.48) CNR2BRD4
SCHEMBL24810635 0.81 IRAK4 (0.35) CNR2IRAK4
SCHEMBL30164503 0.81 IRAK4 (0.35) CNR2IRAK4
SCHEMBL24810238 0.78 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