SCHEMBL6589065

SCHEMBL6589065

Cc1ccc2c(c1)c(-c1n[nH]c(=O)n1-c1cn(CCCN)c3ccc(F)cc13)cn2C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.40
PIM1 P11309 1/20 0.40
PLK1 P53350 2/20 0.40
GSK3B P49841 7/20 0.39
QPCT Q16769 4/20 0.39
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PDK1 Q15118 1/20 0.34
ICMT O60725 1/20 0.34

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
Hydrochloric Acid SCHEMBL6589219 0.99 CAMK2D (0.39) CAMK2DPIM1PLK1GSK3BQPCT
SCHEMBL6588981 0.96 CAMK2D (0.42) CAMK2DPIM1PLK1GSK3BHTR6
Hydrochloric Acid SCHEMBL6588778 0.95 CAMK2D (0.42) CAMK2DPIM1PLK1GSK3BHTR6
SCHEMBL6586537 0.94 PIM1 (0.40) CAMK2DPIM1PLK1GSK3BHTR6
SCHEMBL6590083 0.93 PIM1 (0.39) CAMK2DPIM1PLK1GSK3BHTR6
Hydrochloric Acid SCHEMBL6598884 0.92 CAMK2D (0.42) CAMK2DPIM1PLK1GSK3BQPCT
SCHEMBL6588432 0.91 GSK3B (0.42) CAMK2DPIM1PLK1GSK3BHTR6
SCHEMBL6588231 0.91 CAMK2D (0.51) CAMK2DPIM1PLK1GSK3BPDK1
Hydrochloric Acid SCHEMBL6592479 0.90 PLK1 (0.42) CAMK2DPIM1PLK1GSK3BQPCT
SCHEMBL6589392 0.90 GSK3B (0.41) CAMK2DPIM1PLK1GSK3BQPCT

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
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed