SCHEMBL623390

SCHEMBL623390

Fc1cc2nc(-n3cccn3)nc(N3CCCC3)c2cc1N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.52
EGLN1 Q9GZT9 12/20 0.43
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IP6K1 Q92551 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL627008 0.94 HTT (0.50) ADORA2AEGLN1GLAHSD17B10GAA
SCHEMBL27919330 0.86 ADORA2A (0.52) ADORA2AEGLN1GLATSHRHSD17B10
SCHEMBL627779 0.83 EGLN1 (0.49) ADORA2AEGLN1GLATSHRHSD17B10
SCHEMBL28802325 0.82 ADORA2A (0.47) ADORA2AEGLN1
SCHEMBL622332 0.82 EGLN1 (0.45) ADORA2AEGLN1IP6K1LMNAHTT
SCHEMBL27901521 0.81 EGLN1 (0.67) ADORA2AEGLN1
SCHEMBL627423 0.81 HTT (0.50) ADORA2AEGLN1GLAHSD17B10GAA
SCHEMBL627435 0.81 EGLN1 (0.50) ADORA2AEGLN1GLATSHRHSD17B10
SCHEMBL627589 0.80 EGLN1 (0.47) ADORA2AEGLN1GLATSHRHSD17B10
SCHEMBL626312 0.79 ADORA2A (0.54) ADORA2AEGLN1GLATSHRHSD17B10

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-2603502-A1 4 - AMINOQUINAZOLIN- 2 - YL - 1 - PYRRAZOLE - 4 - CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-06-19 EP disclosed
CN-103068821-A 4 - aminoquinazolin- 2 - yl - 1 - pyrrazole - 4 - carboxylic acid compounds as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV 2013-04-24 CN disclosed
WO-2012021830-A1 4 - AMINOQUINAZOLIN- 2 - YL - 1 - PYRRAZOLE - 4 - CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-02-16 WO disclosed