SCHEMBL5492065

SCHEMBL5492065

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1OCCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.60
EGFR P00533 8/20 0.53
KDR P35968 8/20 0.53
RET P07949 3/20 0.49
KDM1A O60341 1/20 0.45
KIF5B P33176 1/20 0.44
LCK P06239 2/20 0.44
PLK4 O00444 1/20 0.44
GAK O14976 1/20 0.44
EPHB6 O15197 1/20 0.44
RIPK2 O43353 1/20 0.44
ERN1 O75460 1/20 0.44
STK10 O94804 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
YES1 P07947 1/20 0.44

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
SCHEMBL4423983 0.86 TRPA1 (0.60) TRPA1EGFRKDRKDM1ACSF1R
SCHEMBL4424432 0.85 TRPA1 (0.54) TRPA1EGFRKDRRETKDM1A
SCHEMBL4424919 0.82 KDR (0.60) TRPA1EGFRKDRRETLCK
SCHEMBL4420738 0.82 KDR (0.66) TRPA1EGFRKDRRETLCK
SCHEMBL4419529 0.81 KDR (0.60) TRPA1EGFRKDRRETKIF5B
SCHEMBL4421705 0.80 EGFR (0.55) TRPA1EGFRKDRRETLCK
SCHEMBL4421864 0.80 SRC (0.59) EGFRKDRRETKDM1AKIF5B
SCHEMBL4419758 0.79 TRPA1 (0.62) TRPA1EGFRKDRRETKIF5B
SCHEMBL4422009 0.79 TRPA1 (0.52) TRPA1EGFRKDRRETKIF5B
SCHEMBL4431166 0.79 TRPA1 (0.63) TRPA1EGFRKDRRETKIF5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
EP-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed