SCHEMBL6944829

SCHEMBL6944829

Nc1nc(N)c(N)c(N)n1.Nc1nc(O)nc(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.31
PDPK1 O15530 1/20 0.31
DCPS Q96C86 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL34276 0.91
SCHEMBL6409173 0.90
Hydrochloric Acid SCHEMBL19549245 0.88
SCHEMBL5391923 0.85
SCHEMBL33841 0.84 DCPS (0.38) PDPK1DCPSADORA2A
SCHEMBL9443788 0.82 CDK2 (0.47)
Benzene SCHEMBL16828176 0.82 ALDH1A1 (0.35) DCPS
Hydrochloric Acid SCHEMBL19858968 0.81 DCPS (0.36) PDPK1DCPSADORA2A
Hydrochloric Acid SCHEMBL19858969 0.81 DCPS (0.36) PDPK1DCPSADORA2A
Hydrochloric Acid SCHEMBL1450085 0.81 DCPS (0.36) PDPK1DCPSADORA2A

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-1037592-B1 NEW DEVELOPER COMBINATIONS FOR OXIDATION COLOURING AGENTS HENKEL KGAA (DE) 2003-09-10 EP claimed
EP-1037592-A1 NEW DEVELOPER COMBINATIONS FOR OXIDATION COLOURING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-27 EP claimed
WO-1999032068-A2 NEW DEVELOPER COMBINATIONS FOR OXIDATION COLOURING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-07-01 WO claimed