SCHEMBL9380917

SCHEMBL9380917

Cn1c(NC2=CC(=O)C(C)(C)CC2)c(C#N)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 9/20 0.37
LMNA P02545 5/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP11B2 P19099 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL9383692 0.82 EGFR (0.45) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL9382020 0.81 EGFR (0.43) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL9384694 0.81 EGFR (0.43) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL9689388 0.80 ALDH1A1 (0.44) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL9382965 0.78 ALDH1A1 (0.42) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL9381382 0.75 ALDH1A1 (0.40) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL9381112 0.74 ALDH1A1 (0.43) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL28362428 0.68 ALDH1A1 (0.42) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL21333356 0.62 EGFR (0.51) EGFRSRCMEN1KMT2AALDH1A1
SCHEMBL1161411 0.61 EGFR (0.64) EGFRSRCMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372962-B1 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1994-07-20 EP claimed
EP-0372962-A2 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-06-13 EP claimed
EP-0372962-B1 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1994-07-20 EP disclosed
US-5079246-A Antidepressants, anxiolytic agents BEACHAM GROUP P. L. C. (GB) 1992-01-07 US disclosed
EP-0372962-A2 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-06-13 EP disclosed