SCHEMBL21940468

SCHEMBL21940468

Nc1cnc(OCC2CC2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
CHUK O15111 1/20 0.38
CNR2 P34972 3/20 0.36
CNR1 P21554 6/20 0.36
CDK2 P24941 3/20 0.36
SCN5A Q14524 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA1 P78396 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL15093793 0.83 SCN9A (0.42) SCN9ACHUKCNR2CNR1SCN5A
SCHEMBL15968098 0.80 CHUK (0.38) SCN9ACHUKCNR2CNR1
SCHEMBL2116352 0.80 CDK2 (0.39) CNR2CDK2CCNA2CDK1CCNB1
SCHEMBL15599219 0.80 SSTR4 (0.44) SCN9ACHUKCNR2CNR1SCN5A
Hydrochloric Acid SCHEMBL15669989 0.80 CNR2 (0.39) SCN9ACNR2CNR1
SCHEMBL2112932 0.78 CNR1 (0.54) CNR2CNR1ALOX5APFEN1
SCHEMBL18400077 0.78 SCN9A (0.38) SCN9ACHUKCNR2CNR1CDK2
SCHEMBL15669947 0.78 CNR1 (0.38) SCN9ACNR2CNR1CDK2CCNA2
SCHEMBL15350300 0.77 CNR2 (0.39) SCN9ACHUKCNR2CNR1SCN5A
SCHEMBL21940549 0.76 CNR2 (0.39) CNR2CNR1CDK2ALOX5APFEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 EP disclosed