SCHEMBL6021795

SCHEMBL6021795

N#CC(=C1Nc2ccccc2O1)c1ccnc(NCC2CCN(C(=O)O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 13/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ VCP P55072 1/20 0.38
▸ SGK1 O00141 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ BLK P51451 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ MAP2K6 P52564 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.35
▸ ADRA1D P25100 1/20 0.35

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
SCHEMBL6021793 1.00 GRIN2B (0.41) GRIN2BUSP30VCPSGK1ROCK2
SCHEMBL5477983 0.93 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL5478744 0.93 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL8292639 0.93 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL5476896 0.90 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL5480629 0.90 GRIN2B (0.40) GRIN2BUSP30VCP
SCHEMBL5478765 0.89 GRIN2B (0.42) GRIN2BCCNA2CDK2
SCHEMBL5478767 0.89 GRIN2B (0.42) GRIN2BCCNA2CDK2
SCHEMBL14431024 0.89 GRIN2B (0.42) GRIN2BCCNA2CDK2
SCHEMBL5481000 0.86 HRH4 (0.40) USP30VCPSGK1ROCK2RPS6KA5

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-1668004-A1 BENZOXAZOLE ACETONITRILES Applied Research Systems ARS Holding N.V. (AN) 2006-06-14 — — EP claimed
WO-2005026159-A1 BENZOXAZOLE ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 — — WO claimed
Send feedback