SCHEMBL4191402

SCHEMBL4191402

CCCCCn1c(=O)[nH]c2cnc(Cl)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
ADORA2A P29274 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
PGR P06401 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ADORA3 P0DMS8 2/20 0.41
RXFP1 Q9HBX9 3/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL2265319 0.76 LMNA (0.60) ADORA2AALDH1A1MEN1KMT2AHPGD
SCHEMBL29864436 0.76 LMNA (0.60) ADORA2AALDH1A1MEN1KMT2AHPGD
SCHEMBL1693811 0.75 ADORA3 (0.64) ALDH1A1HPGDHSD17B10KDM4EADORA3
SCHEMBL14852954 0.74 CYP1A2 (0.41) PDE4BMEN1KMT2AADORA3LMNA
SCHEMBL7504710 0.74 CDK4 (0.56)
SCHEMBL4184836 0.74 PDE4A (0.43) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4191400 0.72 CYP1A2 (0.49) PDE4BMEN1KMT2APGRADORA3
SCHEMBL18865521 0.72 ADORA3 (0.51) ALDH1A1HPGDKDM4EADORA3TLR7
SCHEMBL29691119 0.72 MTOR (0.51) ADORA3LMNAUSP1
SCHEMBL18865616 0.72 MTOR (0.51) ADORA3LMNAUSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed