SCHEMBL22300111

SCHEMBL22300111

COc1cc2ncnc(-c3ccc(CCI)cc3)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.56
▸ ENPP1 P22413 2/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ EGFR P00533 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ LCK P06239 1/20 0.44
▸ AURKA O14965 1/20 0.44

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
SCHEMBL22300110 0.88 KIT (0.55) KITENPP1MAPK1MEN1KMT2A
SCHEMBL30288430 0.86 KIT (0.53) KITENPP1MAPK1MEN1KMT2A
SCHEMBL24008971 0.86 KIT (0.53) KITENPP1MAPK1MEN1KMT2A
SCHEMBL22164657 0.85 KIT (0.57) KITENPP1MAPK1MEN1KMT2A
SCHEMBL22164766 0.85 KIT (0.57) KITENPP1MAPK1MEN1KMT2A
SCHEMBL27112175 0.85 KIT (0.52) KITENPP1MAPK1MEN1KMT2A
SCHEMBL31400270 0.83 KIT (0.50) KITENPP1MAPK1MEN1KMT2A
SCHEMBL28647820 0.83 KIT (0.50) KITENPP1MAPK1MEN1KMT2A
SCHEMBL20813395 0.83 KIT (0.50) KITENPP1MAPK1MEN1KMT2A
SCHEMBL24008967 0.82 KIT (0.53) KITENPP1MAPK1MEN1KMT2A

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-2020160333-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-08-06 — — WO disclosed
Send feedback