SCHEMBL2250485

SCHEMBL2250485

C=CC(=O)N1CCCC(C(=O)Nc2ccc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3c2)C1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.67
ERBB2 P04626 12/20 0.64
LCK P06239 1/20 0.62
ERBB4 Q15303 2/20 0.51
BLK P51451 1/20 0.51
BMX P51813 1/20 0.51
MAP2K1 Q02750 1/20 0.51
BTK Q06187 1/20 0.51

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
SCHEMBL2251476 0.96 EGFR (0.71) EGFRERBB2LCKERBB4
SCHEMBL2252541 0.93 EGFR (0.68) EGFRERBB2LCKERBB4
SCHEMBL2252515 0.92 EGFR (0.72) EGFRERBB2LCKERBB4
SCHEMBL2249849 0.91 EGFR (0.76) EGFRERBB2LCK
SCHEMBL15162777 0.90 EGFR (0.70) EGFRERBB2LCKERBB4BLK
SCHEMBL30127162 0.89 EGFR (0.70) EGFRERBB2LCKERBB4BLK
SCHEMBL30127130 0.89 EGFR (0.70) EGFRERBB2LCKERBB4BLK
SCHEMBL30125853 0.89 EGFR (0.70) EGFRERBB2LCKERBB4BLK
SCHEMBL2249347 0.88 ERBB2 (0.66) EGFRERBB2LCKERBB4
SCHEMBL15162695 0.87 EGFR (0.74) EGFRERBB2LCK

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
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US claimed
US-8003658-B2 Quinazoline derivatives for inhibiting cancer cell growth and method for the preparation thereof HANMI HOLDINGS CO., LTD. (KR) 2011-08-23 US disclosed