SCHEMBL5669669

SCHEMBL5669669

NC(=O)c1sc(-c2ccccn2)nc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 1/20 0.55
LMNA P02545 1/20 0.51
IKBKB O14920 2/20 0.49
CDC7 O00311 4/20 0.48
DBF4 Q9UBU7 4/20 0.48
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
IDO1 P14902 1/20 0.47
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
MIF P14174 1/20 0.46

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
SCHEMBL7063637 0.84 KDM4E (0.76) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL4794758 0.81 CDC7 (0.50) KDM4EALDH1A1KMT2ALMNAIKBKB
SCHEMBL7457367 0.78 KDM4E (0.68) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL1705162 0.77 CDC7 (0.59) KDM4EALDH1A1KMT2ALMNAIKBKB
SCHEMBL5669674 0.76 TGFBR1 (0.50) KDM4EALDH1A1KMT2AGAAIKBKB
SCHEMBL28814328 0.76 IDO1 (0.56) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL29783027 0.73 ALDH1A1 (1.00) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL14801199 0.73 KDM4E (0.57) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL596082 0.73 KDM4E (1.00) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL1574901 0.73 ALDH1A1 (1.00) KDM4EALDH1A1KMT2AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610780-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-05-03 EP disclosed
EP-1610780-A2 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-01-04 EP disclosed
WO-2004085388-A2 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-10-07 WO disclosed