SCHEMBL30833659

SCHEMBL30833659

NS(=O)(=O)Cc1ccccc1Nc1nc(Cl)ncc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.48
AURKB Q96GD4 4/20 0.48
GLO1 Q04760 2/20 0.43
JAK2 O60674 2/20 0.41
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK8 P45983 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
CDC7 O00311 1/20 0.38
ALK Q9UM73 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
BCL6 P41182 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
KMT2A Q03164 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
SCHEMBL30833643 0.88 ALK (0.43) AURKAAURKBMAPK8TRPV1ALK
SCHEMBL30833796 0.85 IGF1R (0.46) AURKAAURKBALDH1A1MAPK8TRPV1
SCHEMBL30833733 0.85 PIN1 (0.36) AURKAAURKBJAK2ALDH1A1TRPV1
SCHEMBL30833765 0.85 PKMYT1 (0.38) AURKAAURKBTRPV1ALKMAPT
SCHEMBL30833703 0.85 TRPV1 (0.47) AURKBJAK2TRPV1CDC7CDK7
SCHEMBL30833745 0.78 AURKA (0.43) AURKAAURKBGLO1JAK2ALDH1A1
SCHEMBL10074538 0.77 GLO1 (0.55) AURKAAURKBGLO1JAK2ALDH1A1
SCHEMBL29904758 0.76 ALK (0.41) JAK2ALK
SCHEMBL600580 0.76 KMT2A (0.51) AURKAAURKBGLO1JAK2ALDH1A1
SCHEMBL3864935 0.76 AURKA (0.50) AURKAAURKBGLO1JAK2ALDH1A1

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed