SCHEMBL8525237

SCHEMBL8525237

COc1cc2c(C3C(=O)Nc4ccccc43)ncnc2cc1OCCN(C)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 3/20 0.35
KDR P35968 6/20 0.35
CHEK1 O14757 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ATM Q13315 2/20 0.34
ENPP1 P22413 1/20 0.33
PIK3CD O00329 1/20 0.33
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
SRC P12931 1/20 0.32
AURKA O14965 1/20 0.32
CSF1R P07333 1/20 0.32

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
Hydrochloric Acid SCHEMBL8525056 0.99 MEN1 (0.38) MEN1KMT2AEGFRKDRCHEK1
SCHEMBL8525577 0.81 CHEK1 (0.50) EGFRKDRCHEK1ATMSRC
SCHEMBL7205793 0.79 KDR (0.48) KDR
SCHEMBL7205653 0.79 PDE4A (0.45) EGFRKDRTNKSPARP1TNKS2
SCHEMBL8585458 0.78 ENPP1 (0.53) MEN1KMT2AEGFRKDRENPP1
SCHEMBL7209523 0.78 KDR (0.49) EGFRKDRATMEPHA2AURKA
SCHEMBL7211473 0.77 EGFR (0.49) EGFRKDRTNKSPARP1TNKS2
SCHEMBL7206414 0.77 KDR (0.46) KDR
Hydrochloric Acid SCHEMBL7209557 0.77 KDR (0.48) EGFRKDRATMEPHA2AURKA
SCHEMBL7206149 0.77 EHMT2 (0.52) EGFRKDRCHEK1ERBB2SRC

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-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed