SCHEMBL5591985

SCHEMBL5591985

CN(C)c1nc(Cl)cc2nccc(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.36
GLP1R P43220 1/20 0.35
DOT1L Q8TEK3 2/20 0.35
AURKA O14965 1/20 0.33
SYK P43405 1/20 0.33
CSNK2A1 P68400 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CHKA P35790 1/20 0.31
CASP6 P55212 1/20 0.31
EGFR P00533 2/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL5598696 0.80 CHRM4 (0.36) CHRM4GLP1RDOT1LAURKACSNK2A1
SCHEMBL30613713 0.68 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2NR4A2
SCHEMBL26136059 0.68 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2NR4A2
SCHEMBL30800065 0.66 NR4A2 (0.44) AURKAALDH1A1CHKACASP6NR4A2
SCHEMBL1556897 0.66 NR4A2 (0.44) AURKAALDH1A1CHKACASP6NR4A2
SCHEMBL6468054 0.66 ALDH1A1 (0.36) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL31298596 0.64 CHRM4 (0.34) CHRM4AURKAKDM4EALDH1A1POLB
SCHEMBL18260543 0.64 PDGFRB (0.41) DOT1LKDM4EALDH1A1SMN1; SMN2
SCHEMBL31335242 0.64 SMN1; SMN2 (0.34) HIPK2KDM4EALDH1A1SMN1; SMN2
SCHEMBL26135608 0.64 SMN1; SMN2 (0.34) HIPK2KDM4EALDH1A1SMN1; SMN2

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-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed