SCHEMBL8614554

SCHEMBL8614554

COc1cc2cnc(Nc3ccc(OCc4ccc(C#N)cc4)c(C)c3)nc2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 15/20 0.47
KIT P10721 11/20 0.47
FLT3 P36888 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL8617925 0.83 MAPK8 (0.46) CSF1RKIT
SCHEMBL8309890 0.80 EGFR (0.65) FLT3ABCG2
SCHEMBL7754110 0.72 EGFR (0.54) ABCG2
SCHEMBL8614557 0.72 TP53 (0.57) CSF1RABCG2
SCHEMBL360021 0.72 EGFR (0.53) FLT3
Hydrochloric Acid SCHEMBL8615582 0.70 EGFR (0.45) CSF1RKITFLT3
SCHEMBL13362688 0.70 CDK2 (0.50)
SCHEMBL13574015 0.70 TP53 (0.44) CSF1RKITFLT3
SCHEMBL2205050 0.70 KDM4E (0.52) CSF1RABCG2
SCHEMBL8812882 0.69 PDGFRB (0.57)

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-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed