SCHEMBL2321807

SCHEMBL2321807

O=CNc1cc(-c2ccc(Br)cc2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
BRAF P15056 1/20 0.48
TNIK Q9UKE5 4/20 0.46
CHRNA3 P32297 1/20 0.44
APP P05067 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ASIC1 P78348 1/20 0.39

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
SCHEMBL2320934 0.84 APP (0.62) CDK2TNIKCHRNA3APPRAB9A
SCHEMBL27337867 0.84 SMN1; SMN2 (0.51) MEN1KMT2ATNIKAPPRAB9A
SCHEMBL2322234 0.83 RAB9A (0.56) MEN1ALDH1A1KMT2ATNIKRAB9A
SCHEMBL27316182 0.79 TNIK (0.49) CDK1CDK2TNIKAPPRAB9A
SCHEMBL27386696 0.78 APP (0.41) TNIKAPPRAB9ANPC1NR1I2
SCHEMBL2321798 0.77 CDK1 (0.52) CDK1CDK2MEN1USP2ALDH1A1
SCHEMBL13312282 0.77 APP (0.71) CDK1CDK2MEN1USP2ALDH1A1
SCHEMBL18367263 0.73
SCHEMBL6242534 0.73 CDK2 (0.65) CDK1CDK2MEN1USP2ALDH1A1
SCHEMBL21262377 0.70 TNIK (0.83) CDK1CDK2TNIK

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed