SCHEMBL6765264

SCHEMBL6765264

CCc1cccc(Nc2ccc3ncc(-c4ccc(O)cc4)nc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.55
MAPK1 P28482 16/20 0.55
MAPK8 P45983 14/20 0.55
MAPK9 P45984 14/20 0.55
MAPK10 P53779 14/20 0.55
MAPK14 Q16539 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
SCHEMBL6767575 0.87 PIK3CA (0.59) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5757489 0.86 PIK3CA (0.54) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5755728 0.84 MAPK1 (0.50) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5759755 0.84 MAPK1 (0.50) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL4697024 0.83 MAPK1 (0.56) PIK3CAMAPK1MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL5623610 0.82 MAPK1 (0.55) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5758308 0.81 MAPK1 (0.56) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5759669 0.81 MAPK1 (0.47) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5758759 0.79 BCHE (0.50) PIK3CAMAPK1MAPK8MAPK9MAPK10
SCHEMBL5761406 0.78 MAPK1 (0.57) PIK3CAMAPK1MAPK8MAPK9MAPK10

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 1 patent. 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