SCHEMBL7141657

SCHEMBL7141657

CNC(CCCC#Cc1ccc2cncnc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
EGFR P00533 2/20 0.34
ADORA3 P0DMS8 7/20 0.34
GBA1 P04062 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NOTUM Q6P988 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
PTPN11 Q06124 1/20 0.32
IMPDH2 P12268 1/20 0.32

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
SCHEMBL7141642 0.77 STK17B (0.39) ADORA3GBA1
SCHEMBL6776188 0.72 MAP4K4 (0.39) HDAC4HDAC1EGFRHDAC3HDAC7
SCHEMBL7141646 0.70 EGFR (0.36) EGFRGBA1
SCHEMBL6776483 0.68 TRPA1 (0.39) HDAC4HDAC1EGFRHDAC3HDAC7
SCHEMBL6780346 0.67 HDAC3 (0.42) HDAC4HDAC1EGFRHDAC3HDAC7
SCHEMBL2764355 0.64 ACACB (0.38) PTPN11
SCHEMBL2764098 0.64 ACACB (0.38) PTPN11
SCHEMBL30533149 0.63 EGFR (0.48) EGFRNOTUMIMPDH2
SCHEMBL18181153 0.62 CTSS (0.41) HDAC4HDAC1EGFRHDAC3HDAC7
SCHEMBL1312280 0.60 PTPN11 (0.54) ADORA3PTPN11

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-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed