SCHEMBL6155919

SCHEMBL6155919

CC(C)c1nc(N)n(Cc2ccccc2)c2ncnc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
TSHR P16473 3/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR2F2 P24468 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PNP P00491 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
TLR7 Q9NYK1 3/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL6155946 0.83 KDM4E (0.47) KDM4ETSHRHTTMAPK1HSD17B10
SCHEMBL901537 0.68 ALDH1A1 (0.45) KDM4ETSHRHTTMEN1KMT2A
SCHEMBL6155911 0.66 ADORA2A (0.48) ADORA2AADORA1PNPALDH1A1LMNA
3-Benzyladenine SCHEMBL5352368 0.63 ADORA2A (0.56) KDM4ETSHRHTTMAPK1HSD17B10
SCHEMBL5175302 0.62 KDM4E (0.50) KDM4ETSHRHTTPNPNPSR1
SCHEMBL18152832 0.62 KDM4E (0.51) KDM4ETSHRMAPK1MEN1KMT2A
SCHEMBL11809400 0.62 SOS1 (0.66) KDM4ETSHRHTTMEN1KMT2A
SCHEMBL14439848 0.61 POLB (0.46) TSHRHTTMEN1KMT2ATDP1
SCHEMBL9539262 0.61 ALDH1A1 (0.47) KDM4ETSHRHTTMAPK1MEN1
SCHEMBL28495220 0.61 ADORA2A (0.46) HTTADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912575-B1 PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2005-02-02 EP disclosed
US-6310205-B1 Hypoxathine compounds EURO-CELTIQUE, S.A. (LU) 2001-10-30 US disclosed
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP disclosed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP disclosed
US-5864037-A Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity EURO-CELTIQUE, S.A. (LU) 1999-01-26 US disclosed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO disclosed
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP disclosed