SCHEMBL6602353

SCHEMBL6602353

Nc1cc(-n2cnc(CO)c2)c(C(F)(F)F)cc1N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.35
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
SCD O00767 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
MAP3K12 Q12852 1/20 0.30
EGLN2 Q96KS0 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
SCHEMBL6608321 0.85 TLR2 (0.36)
SCHEMBL2963158 0.78 ALDH1A1 (0.54) NOTUMNR2E1EGLN2
SCHEMBL4427476 0.70 NOTUM (0.46) NOTUMSCDPDE3BPDE3A
SCHEMBL19376626 0.70 NR2E1 (0.64) NOTUMPDE3BPDE3ANR2E1
SCHEMBL6784967 0.70 NOTUM (0.46) NOTUM
SCHEMBL5168734 0.69 CFTR (0.40)
SCHEMBL7089349 0.69 NOTUM (0.61) NOTUMPDE3BPDE3A
SCHEMBL4422313 0.69 NOTUM (0.45) NOTUMPDE3BPDE3ANR2E1
SCHEMBL6606287 0.69 TLR2 (0.38)
SCHEMBL6602089 0.69 F2 (0.33) MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453811-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2004-09-08 EP disclosed
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
WO-2003048130-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-06-12 WO 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