SCHEMBL5498230

SCHEMBL5498230

COc1cc2ncc(C#N)c(N)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.59
EGFR P00533 7/20 0.57
ERBB2 P04626 6/20 0.57
GAK O14976 1/20 0.56
MAP2K1 Q02750 3/20 0.55
ENPP1 P22413 2/20 0.55
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53

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
Bromobenzene SCHEMBL27935204 0.88 EGFR (0.60) SRCEGFRERBB2GAKMAP2K1
Ethylbenzene SCHEMBL27459760 0.86 MAP2K1 (0.58) SRCEGFRERBB2MAP2K1ENPP1
SCHEMBL27459377 0.85 EGFR (0.62) SRCEGFRERBB2MAP2K1ABL1
SCHEMBL4743752 0.83 SRC (0.62) SRCEGFRERBB2GAKMAP2K1
SCHEMBL27458918 0.82 SRC (0.50) SRCEGFRERBB2MAP2K1
SCHEMBL15279141 0.81 EGFR (0.62) SRCEGFRERBB2GAKMAP2K1
SCHEMBL15263585 0.81 SRC (0.59) SRCEGFRERBB2GAKMAP2K1
SCHEMBL30080014 0.81 SRC (0.59) SRCEGFRERBB2GAKMAP2K1
SCHEMBL1893090 0.81 SRC (0.62) SRCEGFRERBB2GAKABL1
SCHEMBL29590073 0.81 SRC (0.62) SRCEGFRERBB2GAKABL1

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 4 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
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-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed