SCHEMBL7708102

SCHEMBL7708102

COCCOc1cc2c(Nc3ccc(OC)cc3)ncnc2cc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.67
ERBB2 P04626 2/20 0.67
LCK P06239 2/20 0.65
KDM1A O60341 1/20 0.64
KDR P35968 6/20 0.64
FGFR1 P11362 1/20 0.63
FLT1 P17948 1/20 0.63
RIPK2 O43353 1/20 0.62
EPHB2 P29323 1/20 0.62
GAK O14976 1/20 0.61
FBP1 P09467 1/20 0.60
RET P07949 1/20 0.60
ERBB4 Q15303 1/20 0.59

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
SCHEMBL7708517 0.92 EGFR (0.77) EGFRLCKKDM1AKDRFGFR1
SCHEMBL20805304 0.87 EGFR (0.77) EGFRERBB2LCKKDM1AKDR
SCHEMBL30141491 0.86 EGFR (0.78) EGFRERBB2LCKKDRFLT1
SCHEMBL242224 0.86 EGFR (0.78) EGFRERBB2LCKKDRFLT1
Hydrochloric Acid SCHEMBL8809813 0.85 EGFR (0.76) EGFRERBB2LCKKDRRIPK2
SCHEMBL5670824 0.85 EGFR (0.71) EGFRERBB2LCKKDM1AKDR
SCHEMBL30891782 0.85 EGFR (0.83) EGFRERBB2LCKKDRFGFR1
SCHEMBL16660323 0.82 EGFR (0.77) EGFRERBB2LCKKDM1AKDR
Hydrochloric Acid SCHEMBL8810888 0.82 EGFR (0.68) EGFRERBB2LCKRIPK2EPHB2
SCHEMBL8808387 0.82 EGFR (0.75) EGFRERBB2LCKKDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476040-B1 Processes and intermediates for preparing anti-cancer compounds PFIZER INC. 2002-11-05 US disclosed
EP-1044969-A2 Processes and intermediates for preparing anti-cancer compounds Pfizer Products Inc. (US) 2000-10-18 EP disclosed