SCHEMBL7776303

SCHEMBL7776303

Nc1nc(O)c(Cl)c(-c2ccccc2F)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.54
ADORA1 P30542 5/20 0.48
CHUK O15111 1/20 0.43
MPL P40238 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AURKA O14965 1/20 0.38
DPP4 P27487 2/20 0.38
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MBNL1 Q9NR56 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 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
SCHEMBL9131969 0.88 ADORA2A (0.41) ADORA2AADORA1CHUKMPLSMN1; SMN2
SCHEMBL10982959 0.83 HSP90AA1 (0.47) ADORA2AADORA1SMN1; SMN2DPP4KDM4E
SCHEMBL9132330 0.81 NPC1 (0.46) ADORA2AADORA1AURKACDC7DBF4
SCHEMBL7770058 0.81 ADORA2A (0.54) ADORA2AADORA1CHUKMPLSMN1; SMN2
SCHEMBL9133520 0.81 ADORA2A (0.54) ADORA2AADORA1CHUKMPLSMN1; SMN2
SCHEMBL7777502 0.77 ADORA2A (0.57) ADORA2AADORA1SMN1; SMN2DPP4KDM4E
SCHEMBL7777571 0.76 ADORA2A (0.50) ADORA2AADORA1SMN1; SMN2KDM4EALDH1A1
SCHEMBL21583424 0.74 ADORA2A (0.54) ADORA2AADORA1CHUKMPLAURKA
SCHEMBL7777639 0.72 ADORA2A (0.55) ADORA2AADORA1CHUKDPP4KDM4E
SCHEMBL10751502 0.71 KDM4E (0.50) ADORA2AADORA1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001505911-A 2001-05-08 JP claimed
EP-0948331-A2 METHOD FOR TREATING MULTIPLE SCLEROSIS PHARMACIA & UPJOHN COMPANY (US) 1999-10-13 EP claimed
WO-1998025596-A2 USE OF A 6-ARYL PYRIMIDINE COMPOUND FOR TREATING MULTIPLE SCLEROSIS PHARMACIA & UPJOHN COMPANY (US) 1998-06-18 WO claimed
US-5434157-A Active against herpes, hepatitis, papovavirus THE UPJOHN COMPANY (US) 1995-07-18 US claimed
EP-0948331-A2 METHOD FOR TREATING MULTIPLE SCLEROSIS PHARMACIA & UPJOHN COMPANY (US) 1999-10-13 EP disclosed
WO-1998025596-A2 USE OF A 6-ARYL PYRIMIDINE COMPOUND FOR TREATING MULTIPLE SCLEROSIS PHARMACIA & UPJOHN COMPANY (US) 1998-06-18 WO disclosed
US-5554617-A Method for treating cancer with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1996-09-10 US disclosed
US-5434157-A Active against herpes, hepatitis, papovavirus THE UPJOHN COMPANY (US) 1995-07-18 US disclosed
US-5002951-A 2-amino-5-halo-4-pyrimidinol for bactericides and antiprotozoa agent THE UPJOHN COMPANY (US) 1991-03-26 US disclosed
US-4665077-A IMMUNOREGULATORY AGENTS THE UPJOHN COMPANY (US) 1987-05-12 US disclosed
US-4619933-A 6-aryl pyrimidines for treating aplastic anemia THE UPJOHN COMPANY (US) 1986-10-28 US disclosed
US-4543248-A Method for immunoregulation with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-09-24 US disclosed
US-4507302-A Method for treating arthritis with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-03-26 US disclosed