SCHEMBL5756045

SCHEMBL5756045

Clc1ccccc1CNc1ccc2ncc(-c3ccccc3)nc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.51
MAPK1 P28482 11/20 0.48
PIK3CA P42336 9/20 0.48
MAPK8 P45983 8/20 0.48
MAPK9 P45984 8/20 0.48
MAPK10 P53779 8/20 0.48
PDE5A O76074 1/20 0.48
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
GPR39 O43194 1/20 0.41
VCP P55072 1/20 0.40

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
SCHEMBL5758326 0.91 MAPK1 (0.52) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5755117 0.86 MAPK1 (0.51) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5759347 0.85 MAP4K4 (0.51) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5758049 0.83 MAPK1 (0.48) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5758449 0.82 MAPK1 (0.53) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758213 0.82 MAPK1 (0.46) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL6767095 0.81 MAPK1 (0.47) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758071 0.80 MAP4K4 (0.52) MAP4K4MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5758412 0.79 MAPK1 (0.48) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757558 0.78 MAPK1 (0.50) MAP4K4MAPK1PIK3CAMAPK8MAPK9

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
EP-1028729-B1 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ZENTARIS GMBH (DE) 2006-08-16 EP disclosed
US-6727252-B1 THE SERINE/THREONINE KINASE FAMILY INCLUDES MEMBERS THAT REGULATE CELL GROWTH, MIGRATION, DIFFERENTIATION, GENE EXPRESSION, MUSCLE CONTRACTION, GLUCOSE METABOLISM, CELLULAR PROTEIN SYNTHESIS, AND REGULATION OF THE CELL CYCLE ZENTARIS AG (DE) 2004-04-27 US disclosed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-1028729-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA Medica Aktiengesellschaft (DE) 2000-08-23 EP disclosed
WO-1999017759-A2 METHODS OF MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION WITH 5-AZAQUINOXALINE-BASED COMPOUNDS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed