SCHEMBL5759634

SCHEMBL5759634

CCC(=O)N1CCC(Oc2cc3ncnc(Nc4cccc(Br)c4)c3cc2OC)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.80
ERBB2 P04626 7/20 0.65
KDM4E B2RXH2 1/20 0.63
GAK O14976 1/20 0.63
MAPK13 O15264 1/20 0.63
ABL1 P00519 1/20 0.63
CYP1A2 P05177 1/20 0.63
CDK1 P06493 1/20 0.63
CYP3A4 P08684 1/20 0.63
FBP1 P09467 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
SRC P12931 1/20 0.63
TSHR P16473 1/20 0.63
MAPK1 P28482 1/20 0.63
EPHB2 P29323 1/20 0.63
CYP2C19 P33261 1/20 0.63
KDR P35968 1/20 0.63
MAPK12 P53778 1/20 0.63

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
SCHEMBL3392649 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL4083849 0.88 EGFR (0.79) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL1385661 0.88 EGFR (0.79) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL4087301 0.88 EGFR (0.79) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL12754569 0.83 EGFR (0.67) EGFRERBB2GAKABL1FBP1
SCHEMBL3392653 0.83 EGFR (0.73) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL4508831 0.82 EGFR (0.74) EGFRERBB2KDM4EGAKMAPK13
SCHEMBL1943518 0.82 EGFR (0.69) EGFRERBB2GAKFBP1MAPT
SCHEMBL12304856 0.82 EGFR (0.88) EGFRERBB2GAKEPHB2
SCHEMBL12304854 0.82 EGFR (0.88) EGFRERBB2GAKEPHB2

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-1667991-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-06-14 EP disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed