SCHEMBL6762811

SCHEMBL6762811

Fc1cccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
ABCC1 P33527 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 7/20 0.46
PIK3CA P42336 4/20 0.46
MAPK8 P45983 4/20 0.46
MAPK9 P45984 4/20 0.46
MAPK10 P53779 4/20 0.46
MAPK14 Q16539 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5755728 0.90 MAPK1 (0.50) ABCG2BCHEACHEABCC1ALDH1A1
SCHEMBL5759348 0.87 MAPK1 (0.53) MEN1KMT2ARAB9AMAPK1PIK3CA
SCHEMBL6767084 0.86 PIK3CA (0.49) ABCG2BCHEACHEMEN1KMT2A
SCHEMBL5757913 0.85 PIK3CA (0.54) ABCG2BCHEACHEABCC1MEN1
SCHEMBL6765837 0.85 ABCG2 (0.51) ABCG2ABCC1MAPK1PIK3CAMAPK8
SCHEMBL5760063 0.85 AURKA (0.53) ABCG2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL5757875 0.82 MAPK1 (0.61) ABCG2MEN1KMT2ANPC1RAB9A
SCHEMBL6762843 0.81 BCHE (0.56) ABCG2BCHEACHEABCC1ALDH1A1
SCHEMBL5760664 0.80 BCHE (0.48) BCHEACHEMAPK1PIK3CAMAPK8
SCHEMBL6772317 0.79 MAPK1 (0.48) BCHEACHEMEN1KMT2AMAPK1

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