SCHEMBL4197866

SCHEMBL4197866

CN(C)c1nc(N)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.61
DCPS Q96C86 1/20 0.57
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
PKM P14618 3/20 0.51
KLF5 Q13887 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SMARCA2 P51531 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 4/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL14818172 0.85 DCPS (0.53) NUDT1DCPSRAB9ANPC1PKM
SCHEMBL11871924 0.80 MAPT (0.53) DCPSRAB9ANPC1PKML3MBTL1
SCHEMBL1620437 0.78 NUDT1 (0.62) NUDT1GLALMNAKMT2ACYP1A2
SCHEMBL21227155 0.78 DCPS (0.49) DCPSRAB9ANPC1PKMGLA
SCHEMBL25247772 0.77 NUDT1 (0.61) NUDT1GLALMNAPOLBGAA
SCHEMBL25286799 0.77 NUDT1 (0.61) NUDT1GLALMNAPOLBGAA
SCHEMBL20787682 0.76 DCPS (0.47) NUDT1DCPSRAB9ANPC1PKM
SCHEMBL3340310 0.74 DCPS (0.63) NUDT1DCPSRAB9ANPC1PKM
SCHEMBL29663295 0.74 DCPS (0.63) NUDT1DCPSRAB9ANPC1PKM
SCHEMBL8471116 0.73 ACHE (0.47) L3MBTL1GLALMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed
US-3980650-A 4-Amino-pyrimidine derivatives N.V. KONINKLIJKE PHARMACEUTISCHE FABRIEKEN V/H BROCADES-STHEEMAN EN PHARMACIA (NL) 1976-09-14 US disclosed