SCHEMBL6978768

SCHEMBL6978768

Clc1ncnc2cc(OCCC3CCCN3)cc(N3CCOCC3)c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.44
KDR P35968 12/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MKNK1 Q9BUB5 1/20 0.36
EGFR P00533 2/20 0.34
LCK P06239 1/20 0.34
YES1 P07947 1/20 0.34
FGFR1 P11362 1/20 0.34
CSK P41240 1/20 0.34
AURKB Q96GD4 1/20 0.34
PRKDC P78527 1/20 0.33

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
SCHEMBL7259617 0.89 SRC (0.36) SRCKDRCHRNB2CHRNA4MKNK1
SCHEMBL6971728 0.82 CHRNB2 (0.42) SRCKDRCHRNB2CHRNA4MKNK1
SCHEMBL6970862 0.81 SRC (0.47) SRCKDREGFRLCKYES1
SCHEMBL3277012 0.81 SRC (0.61) SRCKDREGFRLCKYES1
SCHEMBL6966011 0.77 SRC (0.41) SRCKDREGFRLCKYES1
SCHEMBL3367547 0.71 CHEK2 (0.44) AURKB
Hydrochloric Acid SCHEMBL5734915 0.71 SRC (0.56) SRCKDREGFRLCKYES1
SCHEMBL6975067 0.71 IP6K1 (0.35) CHRNB2CHRNA4AURKB
SCHEMBL3275694 0.70 SRC (0.49) SRCKDREGFRLCKYES1
SCHEMBL6463012 0.69 SRC (0.39) SRCKDRCHRNB2CHRNA4EGFR

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-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 WO disclosed