SCHEMBL6602089

SCHEMBL6602089

Nc1cc(-n2ccnc2CO)c(C(F)(F)F)cc1N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
MAP3K12 Q12852 1/20 0.32
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL6608324 0.84 ALDH1A1 (0.43)
SCHEMBL6606294 0.70 ALDH1A1 (0.42)
SCHEMBL6602353 0.69 NOTUM (0.35) MAP3K12
SCHEMBL6182155 0.67 F10 (0.42) F2F10PDE4APDE4BPDE4C
SCHEMBL2597278 0.64 CFTR (0.53) F2F10
SCHEMBL8611823 0.64 ALDH1A1 (0.55)
SCHEMBL3748867 0.64 PDE4A (0.48) F2F10PDE4APDE4BPDE4C
SCHEMBL8911834 0.63 ALDH1A1 (0.60)
SCHEMBL28605657 0.62 ALDH1A1 (0.39)
SCHEMBL7484112 0.62 FDPS (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161344-C 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both ������ҩ��ʽ���� 2004-08-11 CN disclosed
EP-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
CN-1269794-A 6,7-asymmetrically disubstituted quinoxalinecarboxylic acid derivatives, addition salts thereof and process for preparation of both KYORIN SEIYAKU KK (JP) 2000-10-11 CN disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed