SCHEMBL1388381

SCHEMBL1388381

COc1ccc(-c2cc(N)nc(N)n2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.66
▸ MAOB P27338 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ AGTR1 P30556 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ ACACA Q13085 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6496489 0.84 KDM4E (0.50) DYRK1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL6749872 0.84 HSP90AA1 (0.61) MAOBKDM4EALDH1A1MEN1KMT2A
SCHEMBL1388722 0.79 DYRK1A (1.00) DYRK1AMAOBKDM4EALDH1A1HPGD
SCHEMBL7708794 0.79 KDM4E (0.54) DYRK1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL9566448 0.79 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8489079 0.79 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3044785 0.79 KMO (0.55) DYRK1AMAOBKDM4EALDH1A1MEN1
SCHEMBL7462060 0.78 MAOB (0.56) DYRK1AMAOBKDM4EALDH1A1MEN1
SCHEMBL6504950 0.78 KDM4E (0.48) MAOBKDM4EALDH1A1MEN1KMT2A
SCHEMBL12583713 0.76 HSP90AA1 (0.56) DYRK1AALDH1A1HSD17B10NPC1RAB9A

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
JP-H08504798-A — — 1996-05-21 — — JP claimed
EP-0674627-A1 PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-10-04 — — EP claimed
WO-1994014780-A1 PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-07-07 — — WO claimed
EP-0674627-A1 PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-10-04 — — EP disclosed
WO-1994014780-A1 PYRIMIDINE, PYRIDINE, PTERIDINONE AND INDAZOLE DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-07-07 — — WO disclosed
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