SCHEMBL6494074

SCHEMBL6494074

CS(=O)(=O)c1ccc(Nc2ncccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.57
AURKB Q96GD4 1/20 0.57
JAK2 O60674 3/20 0.50
JAK3 P52333 3/20 0.50
PTK2 Q05397 3/20 0.50
CDK2 P24941 2/20 0.49
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
CCNT1 O60563 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CCND3 P30281 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
CSNK1A1 P48729 1/20 0.49

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
SCHEMBL27512507 0.82 SMN1; SMN2 (0.56) AURKAALDH1A1IKBKBL3MBTL1TNNI3K
SCHEMBL1652316 0.81 IKBKB (0.64) AURKAAURKBGSK3BIKBKB
SCHEMBL13440365 0.80 AURKA (0.67) AURKAAURKBCDK2GSK3AGSK3B
SCHEMBL25667539 0.80 ENPP2 (0.54) JAK2JAK3PTK2GSK3BPIP4K2C
Hydrochloric Acid SCHEMBL12813306 0.79 SCN9A (0.57) AURKAAURKBCDK2GSK3AGSK3B
SCHEMBL3245767 0.76 MEN1 (0.58) GSK3BALDH1A1L3MBTL1
SCHEMBL18856685 0.76 CDK1 (0.43) AURKAAURKBJAK2JAK3PTK2
SCHEMBL3753567 0.76 IKBKB (0.68) JAK2JAK3GSK3BMAPK8IKBKB
SCHEMBL30724687 0.75 GPR39 (0.56) AURKA
SCHEMBL14264259 0.75 CA1 (0.76)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065157-A1 CD19 AND CD22 CHIMERIC ANTIGEN RECEPTORS AND USES THEREOF Novartis AG (CH) 2022-10-05 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed