SCHEMBL4040583

SCHEMBL4040583

CCC(Nc1ncccn1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.45
KCNH2 Q12809 1/20 0.45
TACR3 P29371 2/20 0.44
TSHR P16473 1/20 0.43
SCN8A Q9UQD0 2/20 0.43
SCN1A P35498 2/20 0.43
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
SCN5A Q14524 1/20 0.43
CYP2D6 P10635 1/20 0.42
KCNE1 P15382 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
GRK6 P43250 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM2 P08172 1/20 0.38
SCN2A Q99250 1/20 0.38

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
SCHEMBL16132513 0.86 KCNA5 (0.45) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL2323123 0.81 KCNA5 (0.47) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL15908506 0.81 KCNA5 (0.47) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL6268899 0.80 KCNA5 (0.46) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL20684834 0.77 CXCR1 (0.47) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL23808091 0.76 KCNA5 (0.42) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL18319763 0.76 SCN1A (0.40) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL14562246 0.75 TACR3 (0.53) KCNA5KCNH2TACR3TSHRCXCR1
SCHEMBL16132515 0.75 KCNA5 (0.41) KCNA5KCNH2TACR3TSHRSCN8A
SCHEMBL6053058 0.75 SCN1A (0.43) KCNA5KCNH2TACR3TSHRSCN8A

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-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed