SCHEMBL3391872

SCHEMBL3391872

COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC1CCN(C=CC=O)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.73
ERBB2 P04626 6/20 0.69
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
MAPK1 P28482 2/20 0.64
MEN1 O00255 1/20 0.64
GMNN O75496 1/20 0.64
ALDH1A1 P00352 1/20 0.64
ABL1 P00519 1/20 0.64
LMNA P02545 1/20 0.64
RAF1 P04049 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
GLA P06280 1/20 0.64
CYP3A4 P08684 1/20 0.64
FBP1 P09467 1/20 0.64
CYP2D6 P10635 1/20 0.64
SRC P12931 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64

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
SCHEMBL3394547 0.92 EGFR (0.71) EGFRERBB2KDM4EMAPTMAPK1
SCHEMBL3392653 0.90 EGFR (0.73) EGFRERBB2KDM4EMAPTMAPK1
SCHEMBL3433015 0.90 EGFR (0.62) EGFRERBB2EPHA2KDREPHB4
SCHEMBL3395371 0.89 EGFR (0.65) EGFRERBB2MAPK14
SCHEMBL3389265 0.89 EGFR (0.60) EGFRERBB2MAPK14
SCHEMBL3390805 0.89 EGFR (0.76) EGFRERBB2
SCHEMBL3394991 0.89 EGFR (0.78) EGFRERBB2FBP1EPHA2KDR
SCHEMBL3431548 0.88 EGFR (0.66) EGFRERBB2MAPTALDH1A1ABL1
SCHEMBL3392498 0.88 EGFR (0.64) EGFRERBB2EPHA2KDREPHB4
SCHEMBL3433231 0.88 EGFR (0.65) EGFRERBB2EPHA2KDREPHB4

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 claimed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO claimed