SCHEMBL8309481

SCHEMBL8309481

CC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4ccccn4)cc3F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.50
ERBB2 P04626 7/20 0.50
ERBB4 Q15303 2/20 0.50
LCK P06239 1/20 0.50
CCNT1 O60563 1/20 0.46
GSK3B P49841 1/20 0.46
CDK9 P50750 1/20 0.46
DYRK1A Q13627 1/20 0.46
GCK P35557 1/20 0.45
KDR P35968 4/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
RAF1 P04049 3/20 0.43
BRAF P15056 3/20 0.43
FLT1 P17948 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL8309434 0.88 EGFR (0.66) EGFRERBB2ERBB4LCKCCNT1
SCHEMBL8306485 0.87 EGFR (0.53) EGFRERBB2ERBB4LCKCCNT1
SCHEMBL8305114 0.84 EGFR (0.49) EGFRERBB2ERBB4LCKCCNT1
SCHEMBL8306919 0.82 KDR (0.65) EGFRERBB2ERBB4KDRFLT1
SCHEMBL8309848 0.82 ALDH1A1 (0.57) EGFRERBB2ERBB4LCKCCNT1
SCHEMBL8308072 0.81 EGFR (0.49) EGFRERBB2ERBB4LCKCCNT1
SCHEMBL8307584 0.80 ERBB2 (0.68) EGFRERBB2ERBB4LCK
SCHEMBL8782984 0.79 DYRK1A (0.53) EGFRERBB2ERBB4LCKCCNT1
SCHEMBL8616965 0.79 ERBB2 (0.48) EGFRERBB2ERBB4LCKDYRK1A
SCHEMBL8443996 0.78 CYP3A4 (0.54) EGFRERBB2ERBB4LCKCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
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
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