SCHEMBL6765837

SCHEMBL6765837

Clc1cccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.51
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51
IGF1R P08069 1/20 0.48
PDE5A O76074 2/20 0.48
MAPK1 P28482 7/20 0.47
PIK3CA P42336 4/20 0.47
MAPK8 P45983 4/20 0.47
MAPK9 P45984 4/20 0.47
MAPK10 P53779 4/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
ROCK1 Q13464 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
KDR P35968 2/20 0.46
MAPK14 Q16539 1/20 0.45

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
SCHEMBL5759755 0.90 MAPK1 (0.50) IGF1RMAPK1PIK3CAMAPK8MAPK9
SCHEMBL5759348 0.87 MAPK1 (0.53) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL6765135 0.86 TP53 (0.50) ABCG2PDE5AMAPK1PIK3CAMAPK8
SCHEMBL6762811 0.85 ABCG2 (0.51) ABCG2ABCC1MAPK1PIK3CAMAPK8
SCHEMBL5757913 0.85 PIK3CA (0.54) ABCG2ABCB1ABCC1MAPK1PIK3CA
SCHEMBL5757875 0.82 MAPK1 (0.61) ABCG2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5760063 0.82 AURKA (0.53) ABCG2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL6762843 0.81 BCHE (0.56) ABCG2ABCC1PDE5AROCK1ABL1
SCHEMBL5758071 0.80 MAP4K4 (0.52) PDE5AMAPK1PIK3CAMAPK8MAPK9
SCHEMBL4697024 0.79 MAPK1 (0.56) MAPK1PIK3CAMAPK8MAPK9MAPK10

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
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