SCHEMBL8995841

SCHEMBL8995841

Nc1nc(=O)c(I)c(-c2ccccc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.49
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G10 O15496 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
QTRT1 Q9BXR0 1/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS1 P29475 1/20 0.41
CDC7 O00311 1/20 0.40
DHFR P00374 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MASP2 O00187 1/20 0.38

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
Bropirimine SCHEMBL4058 0.81 XDH (0.57) XDHFGFR1FGFR2ALDH1A1HPGD
Bropirimine SCHEMBL20769828 0.81 XDH (0.57) XDHFGFR1FGFR2ALDH1A1HPGD
SCHEMBL19733297 0.77 XDH (0.60) XDHALDH1A1HPGD
SCHEMBL10570830 0.74 XDH (0.68) XDHFGFR1FGFR2ALDH1A1HPGD
SCHEMBL725362 0.73 KDM4E (0.60) XDHALDH1A1HPGDKDM4EGAA
SCHEMBL1980159 0.72 XDH (0.50) XDHALDH1A1HPGDKDM4EGAA
SCHEMBL31683723 0.72 XDH (0.46) XDHFGFR1FGFR2ALDH1A1HPGD
SCHEMBL16163675 0.68 ALDH1A1 (0.45) XDHFGFR1ALDH1A1KDM4EHSD17B10
SCHEMBL24813859 0.68 XDH (0.59) XDHFGFR1FGFR2ALDH1A1HPGD
SCHEMBL24603099 0.66 XDH (0.56) XDHFGFR1FGFR2QTRT1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554617-A Method for treating cancer with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1996-09-10 US claimed
US-5002951-A 2-amino-5-halo-4-pyrimidinol for bactericides and antiprotozoa agent THE UPJOHN COMPANY (US) 1991-03-26 US claimed
US-4665077-A IMMUNOREGULATORY AGENTS THE UPJOHN COMPANY (US) 1987-05-12 US claimed
US-4619933-A 6-aryl pyrimidines for treating aplastic anemia THE UPJOHN COMPANY (US) 1986-10-28 US claimed
US-4543248-A Method for immunoregulation with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-09-24 US claimed
US-5554617-A Method for treating cancer with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1996-09-10 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