SCHEMBL30833628

SCHEMBL30833628

O=[SH](=O)NCc1ccccc1Nc1nc(Cl)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NTRK1 P04629 3/20 0.39
MAPK8 P45983 3/20 0.38
CDK19 Q9BWU1 1/20 0.37
ALK Q9UM73 1/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPT P10636 1/20 0.34
PIN1 Q13526 1/20 0.34

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
SCHEMBL30833627 0.88 BCL6 (0.39) IGF1RMAPK8ALKMAPK9MAPK10
SCHEMBL30833745 0.85 AURKA (0.43) IGF1RKMT2ANTRK1MAPK8ALK
SCHEMBL30833645 0.85 PIN1 (0.36) IGF1RMEN1KMT2AMAPTPIN1
SCHEMBL30833663 0.85 PIN1 (0.36) IGF1RMEN1KMT2AMAPTPIN1
SCHEMBL30833754 0.85 MAPT (0.36) IGF1RMEN1KMT2AMAPTPIN1
SCHEMBL25056307 0.83 MEN1 (0.52) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL30833638 0.82 PTK2 (0.45) IGF1RNTRK1
SCHEMBL30833726 0.81 IGF1R (0.40) IGF1RMEN1KMT2AMAPK8CDK19
SCHEMBL17544600 0.81 IGF1R (0.51) IGF1RMEN1KMT2ANTRK1MAPK8
SCHEMBL30088390 0.81 IGF1R (0.51) IGF1RMEN1KMT2ANTRK1MAPK8

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