SCHEMBL8308072

SCHEMBL8308072

COCCNc1ccc2ncnc(Nc3ccc(OCc4ccccn4)cc3F)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.49
ERBB2 P04626 6/20 0.49
DYRK1A Q13627 2/20 0.49
ERBB4 Q15303 1/20 0.49
CCNT1 O60563 1/20 0.49
GSK3B P49841 1/20 0.49
CDK9 P50750 1/20 0.49
FLT1 P17948 5/20 0.48
KDR P35968 5/20 0.48
FGFR1 P11362 3/20 0.48
LCK P06239 1/20 0.47
FLT4 P35916 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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 0.84 EGFR (0.66) EGFRERBB2DYRK1AERBB4CCNT1
SCHEMBL8306485 0.84 EGFR (0.53) EGFRERBB2DYRK1AERBB4CCNT1
SCHEMBL8306919 0.83 KDR (0.65) EGFRERBB2ERBB4FLT1KDR
SCHEMBL8305114 0.83 EGFR (0.49) EGFRERBB2DYRK1AERBB4CCNT1
SCHEMBL8306619 0.81 EGFR (0.72) EGFRERBB2ERBB4LCKALDH1A1
SCHEMBL7760710 0.81 KDR (0.60) EGFRERBB2DYRK1AFLT1KDR
SCHEMBL8614882 0.81 BRAF (0.42)
SCHEMBL8309481 0.81 EGFR (0.50) EGFRERBB2DYRK1AERBB4CCNT1
SCHEMBL8309603 0.81 EGFR (0.71) EGFRERBB2ERBB4LCK
SCHEMBL8309848 0.79 ALDH1A1 (0.57) EGFRERBB2DYRK1AERBB4CCNT1

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

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