SCHEMBL6773855

SCHEMBL6773855

Cc1nc(N)c2nc(C)n(CCNC(=S)NCCN3CCOCC3)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6283993 0.82 HTT (0.41) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6782528 0.81 HPGD (0.42) KDM4EKMT2AMEN1HPGDDUSP3
SCHEMBL6776398 0.77 KDM4E (0.36) KDM4EKMT2AMEN1CYP3A4NPC1
SCHEMBL6773229 0.76 EPHX2 (0.46) LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6288799 0.76 HTT (0.44) KDM4EKMT2AMEN1HPGDLMNA
SCHEMBL6779590 0.76 MAPKAPK2 (0.43) KMT2AMEN1CYP3A4NPC1CYP2C19
SCHEMBL6110335 0.75 KDM4E (0.39) KDM4EHPGDCYP3A4CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL6110768 0.74 KDM4E (0.38) KDM4EHPGDCYP3A4CYP2C19ALDH1A1
SCHEMBL4792956 0.73 HTT (0.41) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6782569 0.73 SMN1; SMN2 (0.44) KDM4EKMT2AMEN1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed