SCHEMBL8308906

SCHEMBL8308906

Cn1ccnc1Sc1ccc(Nc2ncnc3ccc(O)cc23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.46
ALK Q9UM73 2/20 0.44
RIPK2 O43353 2/20 0.44
RAF1 P04049 5/20 0.43
BRAF P15056 5/20 0.43
RET P07949 2/20 0.43
ERBB2 P04626 2/20 0.42
KIF5B P33176 1/20 0.41
KDR P35968 1/20 0.41
NOD1 Q9Y239 1/20 0.41
GCK P35557 2/20 0.41
ERBB4 Q15303 1/20 0.40

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
SCHEMBL8308341 0.89 IGF1R (0.50) EGFRALKRIPK2RAF1BRAF
SCHEMBL8449810 0.85 EGFR (0.49) EGFRRIPK2ERBB2GCK
Hydrochloric Acid SCHEMBL8305108 0.84 EGFR (0.48) EGFRRIPK2ERBB2GCK
SCHEMBL8307394 0.83 EGFR (0.45) EGFRRIPK2ERBB2GCK
SCHEMBL8307493 0.82 EGFR (0.46) EGFRRIPK2ERBB2GCK
SCHEMBL8615598 0.79 GCK (0.40) BRAFGCK
SCHEMBL5567997 0.77 EGFR (0.48) EGFRERBB2GCK
SCHEMBL7763004 0.76 ALK (0.60) EGFRALKRIPK2RAF1BRAF
SCHEMBL8812643 0.76 ALK (0.43) EGFRALKRIPK2RAF1BRAF
SCHEMBL5567991 0.74 EGFR (0.56) EGFRERBB2KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed