SCHEMBL8104967

SCHEMBL8104967

CNCCNc1ccc2ncnc(Nc3ccc(F)c(F)c3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.57
DYRK1A Q13627 1/20 0.53
ERBB2 P04626 4/20 0.52
ERBB4 Q15303 1/20 0.48
FBP1 P09467 1/20 0.47

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
SCHEMBL7763519 0.86 EGFR (0.56) EGFRDYRK1AERBB2FBP1
SCHEMBL8103025 0.81 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL8103000 0.78 EGFR (0.65) EGFRERBB2ERBB4
SCHEMBL7763004 0.78 ALK (0.60) EGFRDYRK1AERBB2
Hydrochloric Acid SCHEMBL7760887 0.78 EGFR (0.76) EGFRDYRK1AERBB2
Hydrochloric Acid SCHEMBL8104687 0.77 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL7760849 0.76 EGFR (0.68) EGFRERBB2FBP1
SCHEMBL7763501 0.74 EGFR (0.66) EGFRERBB2FBP1
SCHEMBL7764438 0.74 EGFR (0.62) EGFRERBB2ERBB4FBP1
SCHEMBL7766632 0.73 EGFR (0.57) EGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US disclosed
EP-0824526-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1998-02-25 EP disclosed
WO-1996033978-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1996-10-31 WO disclosed