SCHEMBL5496775

SCHEMBL5496775

Cc1ccncc1-c1ccc2nc(-c3cc(N)cnc3N)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.54
LCK P06239 1/20 0.46
KDR P35968 1/20 0.46
JAK3 P52333 1/20 0.46
MAPK14 Q16539 1/20 0.46
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
BRAF P15056 2/20 0.43
MAP4K1 Q92918 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL5496907 0.80 ABL1 (0.62) ABL1LCKKDRJAK3MAPK14
SCHEMBL4733367 0.80 LCK (0.70) ABL1LCKKDRJAK3MAPK14
SCHEMBL30494215 0.80 LCK (0.70) ABL1LCKKDRJAK3MAPK14
SCHEMBL9938086 0.71 ABL1 (1.00) ABL1CYP11B1CYP11B2MAP4K1
SCHEMBL5492999 0.70 ABL1 (0.52) ABL1LCKKDRJAK3MAPK14
SCHEMBL14569081 0.70 ABL1 (0.58) ABL1LCKKDRJAK3MAPK14
SCHEMBL9939618 0.69 ABL1 (1.00) ABL1CYP11B1CYP11B2MAP4K1
SCHEMBL5489139 0.68 LCK (0.72) ABL1LCKKDRJAK3MAPK14
SCHEMBL18899879 0.67 ABL1 (0.74) ABL1CYP11B1CYP11B2
SCHEMBL10272837 0.67 ABL1 (0.55) ABL1CYP11B1CYP11B2

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed