SCHEMBL6205265

SCHEMBL6205265

N=C(N)Nc1ccc2nc[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 14/20 0.58
NAMPT P43490 1/20 0.53
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
ATM Q13315 1/20 0.52
ADRA2A P08913 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
EPHX1 P07099 1/20 0.51
NPC1 O15118 1/20 0.50
PRKCI P41743 1/20 0.50

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
SCHEMBL21774243 0.84 QPCT (0.63) QPCTNAMPTRAB9ATP53MAPT
SCHEMBL5265936 0.79 NAMPT (0.66) QPCTNAMPTRAB9ATP53MAPT
SCHEMBL6625320 0.78 ADRA2A (0.58) QPCTNAMPTRAB9ATP53MAPT
SCHEMBL19558132 0.78 ADRA2A (0.58) QPCTNAMPTRAB9ATP53MAPT
SCHEMBL11580425 0.77 QPCT (0.63) QPCTNAMPTRAB9ATP53MAPT
SCHEMBL1232537 0.75 HDAC6 (0.57) RAB9AMAPTPRKCI
SCHEMBL29941136 0.75 HDAC6 (0.57) RAB9AMAPTPRKCI
SCHEMBL5063947 0.74 ADRA2A (0.58) QPCTNAMPTMAPTADRA2AADRA2C
SCHEMBL16683681 0.74 QPCT (0.77) QPCTRAB9ANPC1
SCHEMBL27548486 0.74 NAMPT (0.67) QPCTNAMPTRAB9ATP53MAPT

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-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed