SCHEMBL5226280

SCHEMBL5226280

CC(C)Nc1nc2cc(N)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
NSD2 O96028 1/20 0.44
ELANE P08246 1/20 0.43
HSD17B10 Q99714 3/20 0.43
GFER P55789 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
RAD52 P43351 1/20 0.42
LCK P06239 1/20 0.39
BRPF1 P55201 2/20 0.39
PRKCI P41743 1/20 0.39
GSK3B P49841 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL4980556 0.83 LCK (0.56) ALDH1A1HTTLCK
SCHEMBL209641 0.81 KDM4E (0.46) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL25080567 0.81 NPC1 (0.41) KDM4EMAPTHSD17B10NPC1CSNK2A2
SCHEMBL14263360 0.77 KDM4E (0.43) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL3613367 0.77 ALDH1A1 (0.45) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL12827141 0.77 HDAC6 (0.50) KDM4EALDH1A1MAPTHTTNPC1
SCHEMBL7996781 0.76 LMNA (0.57) KDM4EALDH1A1MAPTHSD17B10TDP1
SCHEMBL2734327 0.75 KDM4E (0.52) KDM4EALDH1A1MAPTNSD2HSD17B10
SCHEMBL4977099 0.75 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHTTNPC1
SCHEMBL14263330 0.75 KDM4E (0.51) KDM4EALDH1A1MAPTHSD17B10GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed