SCHEMBL30051178

SCHEMBL30051178

Cn1cc2ccc(Oc3ccc(N)cc3F)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NSD2 O96028 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GCK P35557 1/20 0.37
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
MAPK14 Q16539 1/20 0.34
BRD4 O60885 2/20 0.34
AXL P30530 2/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
TRPA1 O75762 2/20 0.33
NOTUM Q6P988 1/20 0.33
SCN4A P35499 1/20 0.33
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
PPARG P37231 2/20 0.32
JAK3 P52333 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
SCHEMBL24809167 0.86 MAPT (0.61) MAPTKDM4ENSD2ALDH1A1EGFR
SCHEMBL24807674 0.80 MAPT (0.47) MAPTKDM4ENSD2ALDH1A1GCK
SCHEMBL30050279 0.80 MAPT (0.47) MAPTKDM4ENSD2ALDH1A1GCK
SCHEMBL30049531 0.79 MAPT (0.46) MAPTKDM4ENSD2ALDH1A1EGFR
SCHEMBL30050462 0.79 MAPT (0.46) MAPTKDM4ENSD2ALDH1A1EGFR
SCHEMBL1489105 0.77 KDM4E (1.00) MAPTKDM4ENSD2ALDH1A1EGFR
Hydrochloric Acid SCHEMBL8100733 0.75 KDM4E (0.96) MAPTKDM4ENSD2ALDH1A1EGFR
SCHEMBL23750358 0.74 KMT2A (0.43) MAPTKDM4EALDH1A1GCKEGFR
SCHEMBL24569522 0.74 HCAR3 (0.39) MAPTKDM4EALDH1A1GCKMAPK14
SCHEMBL29888756 0.74 KMT2A (0.43) MAPTKDM4EALDH1A1GCKEGFR

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
WO-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 WO disclosed