SCHEMBL26525002

SCHEMBL26525002

C=NC(=C)N(C(=O)NC)c1c(C)cccc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
PLA2G1B P04054 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
OPRM1 P35372 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
SCHEMBL26524850 0.80 LMNA (0.33) NLRP3KMT2ALMNASMN1; SMN2
SCHEMBL10615591 0.79 ALDH1A1 (0.35) NLRP3MAPK1KMT2AMEN1LMNA
SCHEMBL24502399 0.78
SCHEMBL26524998 0.75 MEN1 (0.32) KMT2AMEN1LMNA
SCHEMBL23323397 0.65
SCHEMBL10612763 0.64 PLAU (0.35) MAPK1KMT2AMEN1LMNAPLA2G1B
SCHEMBL31587768 0.63 GABRA1 (0.43) NLRP3MAPK1KMT2AMEN1LMNA
SCHEMBL7194598 0.63 GABRA1 (0.43) NLRP3MAPK1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL10613086 0.63 PKM (0.36) MAPK1LMNA
SCHEMBL11661495 0.63 KMT2A (0.37) NLRP3MAPK1KMT2AMEN1LMNA

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
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed