SCHEMBL30833652

SCHEMBL30833652

NS(=O)(=O)Cc1c(F)cccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
ZAP70 P43403 4/20 0.38
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK8 P45983 2/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALK Q9UM73 2/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 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
SCHEMBL30833675 0.84 EGFR (0.42) IGF1RMEN1KMT2AZAP70TP53
SCHEMBL30833796 0.81 IGF1R (0.46) IGF1RMEN1KMT2AAURKAAURKB
SCHEMBL30833726 0.80 IGF1R (0.40) IGF1RMEN1KMT2AAURKAAURKB
SCHEMBL31204509 0.78 MEN1 (0.38) IGF1RMEN1KMT2AKDM4EALDH1A1
SCHEMBL22500906 0.78 ABL1 (0.47) IGF1RMEN1KMT2AAURKAAURKB
SCHEMBL29389889 0.78 ABL1 (0.47) IGF1RMEN1KMT2AAURKAAURKB
SCHEMBL29190615 0.76 GLO1 (0.43) IGF1RMEN1KMT2AAURKAAURKB
SCHEMBL375527 0.76 IGF1R (0.50) IGF1RMEN1KMT2AZAP70KDM4E
SCHEMBL30833659 0.74 AURKA (0.48) KMT2AAURKAAURKBALDH1A1MAPK8
SCHEMBL5912776 0.73 ALDH1A1 (0.41) MEN1KMT2AABL1BCRRXFP1

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