SCHEMBL8615673

SCHEMBL8615673

CNCCOc1ccc2nc(Nc3ccc(Sc4nccn4C)c(F)c3)ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.41
GCK P35557 1/20 0.40
WEE1 P30291 1/20 0.39
JAK2 O60674 1/20 0.37
BRD4 O60885 1/20 0.37
MAP2K1 Q02750 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL8615598 0.82 GCK (0.40) BRAFGCKMAP2K1IGF1R
SCHEMBL8307493 0.82 EGFR (0.46) GCK
SCHEMBL8307394 0.72 EGFR (0.45) GCK
SCHEMBL8615048 0.72 IGF1R (0.50) MAP2K1IGF1R
SCHEMBL8618439 0.69 IGF1R (0.62) MAP2K1IGF1R
Hydrochloric Acid SCHEMBL8620309 0.69 IGF1R (0.61) MAP2K1IGF1R
SCHEMBL8449810 0.66 EGFR (0.49) GCK
Hydrochloric Acid SCHEMBL8305108 0.65 EGFR (0.48) GCK
SCHEMBL8308906 0.65 EGFR (0.46) BRAFGCK
SCHEMBL8810511 0.63 HDAC3 (0.45) GCK

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