SCHEMBL5138971

SCHEMBL5138971

N#Cc1c(-c2ccccc2F)nc2cnccc2c1N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 9/20 0.58
ADORA1 P30542 4/20 0.51
ADORA2A P29274 4/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F10 P00742 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
ADORA2B P29275 2/20 0.44
DHODH Q02127 1/20 0.44
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL6072767 0.85 ADORA2A (0.60) PIP4K2AADORA1ADORA2AALDH1A1KDM4E
SCHEMBL5138974 0.80 KDM4E (0.53) PIP4K2AADORA1ADORA2AALDH1A1KDM4E
SCHEMBL6072331 0.69 BCHE (0.53) ADORA1ADORA2AALDH1A1KDM4EGLA
SCHEMBL31375839 0.69 LATS1 (0.48) PIP4K2A
SCHEMBL6072047 0.69 ACP1 (0.45) PIP4K2AADORA1ADORA2AALDH1A1KDM4E
SCHEMBL5139694 0.69 PIP4K2A (0.47) PIP4K2AADORA1ADORA2AALDH1A1KDM4E
SCHEMBL16014103 0.68 ADORA2A (0.52) ADORA1ADORA2AALDH1A1KDM4EHPGD
SCHEMBL23362941 0.68 HTT (0.54) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL30168456 0.68 HTT (0.54) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5948594 0.68 PIP4K2A (0.57) PIP4K2AADORA1ADORA2AALDH1A1KDM4E

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
US-7432279-B2 4,6-diamino-[1,7]naphthyridine-3-carbonitrile inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2008-10-07 US disclosed