SCHEMBL8615598

SCHEMBL8615598

Cn1ccnc1Sc1ccc(Nc2ncc3cc(O)ccc3n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.40
BRAF P15056 3/20 0.40
IGF1R P08069 2/20 0.39
MAP2K1 Q02750 2/20 0.38
SYK P43405 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL8615048 0.89 IGF1R (0.50) IGF1RMAP2K1
SCHEMBL8615673 0.82 BRAF (0.41) GCKBRAFIGF1RMAP2K1
SCHEMBL8308906 0.79 EGFR (0.46) GCKBRAF
SCHEMBL8618439 0.72 IGF1R (0.62) IGF1RMAP2K1
Hydrochloric Acid SCHEMBL8620309 0.72 IGF1R (0.61) IGF1RMAP2K1
SCHEMBL13363011 0.68 BRAF (0.55) BRAF
SCHEMBL8308341 0.67 IGF1R (0.50) BRAFIGF1RMAP2K1
SCHEMBL8449810 0.67 EGFR (0.49) GCK
SCHEMBL4029532 0.67 GCK (0.54) GCK
SCHEMBL3429200 0.67 BRAF (0.52) BRAFSYKAURKA

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