SCHEMBL4080494

SCHEMBL4080494

CNC(=O)c1cccc(CCc2cc(Nc3ccnc(Cl)n3)[nH]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.41
LCK P06239 1/20 0.39
SCN9A Q15858 5/20 0.39
DHODH Q02127 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ADCY10 Q96PN6 1/20 0.38
KDR P35968 1/20 0.37
ROCK1 Q13464 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
BRD4 O60885 1/20 0.36
SLC7A5 Q01650 1/20 0.36
ROCK2 O75116 1/20 0.36
GRK2 P25098 1/20 0.36
GRK3 P35626 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3984781 0.86 FGFR1 (0.44) YTHDC1LCKSCN9ADHODHCYP4F2
SCHEMBL3928183 0.81 IGF1R (0.41) LCKKDRCCNCCDK8GAA
SCHEMBL4007933 0.81 FGFR1 (0.37) YTHDC1SCN9ADHODHCYP4F2CYP4A11
SCHEMBL4007939 0.81 IGF1R (0.57) KDR
SCHEMBL3934716 0.80 NR3C2 (0.44) KDRROCK1
SCHEMBL62859 0.77 DHODH (0.48) DHODHCYP4F2CYP4A11ADCY10ROCK1
SCHEMBL2299253 0.76 SCN9A (0.57) LCKSCN9AKDRROCK1
SCHEMBL3980913 0.74 FGFR1 (0.50) KDR
SCHEMBL3928820 0.74 CLK4 (0.42) KDRROCK1
SCHEMBL3926678 0.73 IGF1R (0.50) KDR

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-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed