SCHEMBL5052056

SCHEMBL5052056

Cn1cc2ncncc2n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 5/20 0.32
CYP3A4 P08684 4/20 0.32
TSHR P16473 3/20 0.32
CLK4 Q9HAZ1 2/20 0.32
MAP4K4 O95819 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1A1 P48729 1/20 0.31
HSD17B10 Q99714 2/20 0.30
USP2 O75604 2/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28387105 0.76 EGFR (0.35) EGFRALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL5337461 0.74 EGFR (0.34) EGFR
SCHEMBL3726363 0.74 EGFR (0.33) EGFR
SCHEMBL23557654 0.74 HTT (0.32) EGFRALDH1A1KDM4E
SCHEMBL3843210 0.69 EGFR (0.31) EGFR
SCHEMBL127479 0.69 EGFR (0.50) EGFRALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL15980404 0.68 MAPT (0.36) ALDH1A1KDM4ENSD2MAPT
SCHEMBL21676523 0.68 ADORA1 (0.34) EGFRALDH1A1KDM4ENSD2MAPT
SCHEMBL15344218 0.68 CYP1A2 (0.39) ALDH1A1KDM4ENSD2MAPTCYP1A2
SCHEMBL28003243 0.67 EGFR (0.48) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021121282-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION 上海轶诺药业有限公司 2021-06-24 WO disclosed
WO-2020024997-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 WO disclosed
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
EP-1758565-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL Arena Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
WO-2006076231-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL ARENA PHARMACEUTICALS, INC. (US) 2006-07-20 WO disclosed