SCHEMBL30468433

SCHEMBL30468433

CN(Cc1nccnc1N(C)S(C)(=O)=O)c1ccnc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRPK2 P78362 4/20 0.45
SRPK1 Q96SB4 4/20 0.45
PTK2 Q05397 11/20 0.36
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRPK3 Q9UPE1 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL29051811 1.00 SRPK2 (0.45) SRPK2SRPK1PTK2CYP1A2CYP2C19
SCHEMBL29051843 0.77 SRPK3 (0.46) SRPK2SRPK1PTK2SRPK3AURKA
SCHEMBL29133918 0.72 PTK2 (0.39) PTK2AURKAJAK2STK16CDKL5
SCHEMBL31273945 0.70 LMNA (0.32) CYP1A2TP53CYP3A4ALDH1A1JAK2
SCHEMBL29051675 0.69 PTK2 (0.39) PTK2AURKAJAK2STK16CDKL5
SCHEMBL12409784 0.69 PTK2 (0.40) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29783098 0.69 PTK2 (0.40) PTK2AURKAJAK2STK16CDKL5
SCHEMBL29051782 0.68 PTK2 (0.50) PTK2AURKAJAK2STK16CDKL5
SCHEMBL4256517 0.68 HRH3 (0.43) CYP1A2CYP2C19CYP2D6USP2CYP3A4
SCHEMBL1995027 0.68 SMN1; SMN2 (0.52) ALDH1A1KDM4EMAPTKMT2ADRD1

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-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed