SCHEMBL28808103

SCHEMBL28808103

CCCCc1cc(-c2ccc(F)cc2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.45
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TLR8 Q9NR97 1/20 0.40
FAAH O00519 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
SCHEMBL10272933 0.83 KMT2A (0.44) SREBF2CYP2D6MAPK1MEN1KMT2A
SCHEMBL27942382 0.77 HRH2 (0.70) SREBF2HRH2HRH3MAPK1ALDH1A1
SCHEMBL23894193 0.72 SREBF2 (0.48) SREBF2HRH2HRH3HSD17B10TP53
SCHEMBL12910170 0.71 CYP1A2 (0.48) CYP2D6MAPK1MEN1KMT2AHSD17B10
SCHEMBL28305148 0.70 CTSS (0.44) SREBF2KIT
SCHEMBL2495475 0.69 KCNH2 (0.48) ALDH1A1CYP3A4L3MBTL1IDO1GABRP
SCHEMBL13549544 0.69 MAPT (0.55) MAPK1MEN1KMT2AHSD17B10USP2
SCHEMBL2410249 0.69 KMO (0.49) SREBF2ALDH1A1TLR8FAAHNPC1
SCHEMBL1685607 0.68 KCNH2 (0.52) HSD17B10ALDH1A1TP53CYP3A4ADORA3
SCHEMBL10572459 0.68 PDPK1 (0.37) ALDH1A1CYP3A4CLK4IDO1MAP4K4

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
CN-103391935-A Diaminopyrimidine derivatives and process for preparing same YUHAN CORP 2013-11-13 CN disclosed