SCHEMBL3389179

SCHEMBL3389179

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1O[C@H]1CCN(CC#CC=O)C1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.68
ERBB2 P04626 3/20 0.68
FGFR1 P11362 1/20 0.59
FLT1 P17948 1/20 0.59
KDR P35968 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
SCHEMBL3392073 0.96 ERBB2 (0.72) EGFRERBB2FGFR1FLT1KDR
SCHEMBL3434900 0.85 EGFR (0.62) EGFRERBB2FGFR1FLT1KDR
SCHEMBL3395009 0.84 EGFR (0.65) EGFRERBB2FGFR1FLT1KDR
SCHEMBL4887398 0.82 ERBB2 (0.86) EGFRERBB2
SCHEMBL3390827 0.82 ERBB2 (0.78) EGFRERBB2
SCHEMBL3391499 0.82 ERBB2 (0.73) EGFRERBB2FGFR1FLT1KDR
Hydrochloric Acid SCHEMBL4876811 0.82 ERBB2 (0.85) EGFRERBB2
SCHEMBL9883167 0.82 EGFR (0.84) EGFRERBB2FGFR1FLT1KDR
SCHEMBL3695904 0.81 EGFR (0.86) EGFRERBB2
SCHEMBL3695899 0.81 EGFR (0.86) EGFRERBB2

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
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO disclosed