SCHEMBL18633119

SCHEMBL18633119

C=Nc1cc(OCCC2C3CN(C)CC23)c(NC(=O)/C=C/CN(C)C)cc1/C(=N\C)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.53
▸ ERBB2 P04626 12/20 0.46
▸ STK25 O00506 1/20 0.43
▸ CIT O14578 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ GAK O14976 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ STK17B O94768 1/20 0.43
▸ STK10 O94804 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ FES P07332 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ YES1 P07947 1/20 0.43
▸ LYN P07948 1/20 0.43
▸ MET P08581 1/20 0.43
▸ HCK P08631 1/20 0.43

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
SCHEMBL18633118 0.93 EGFR (0.53) EGFRERBB2ERBB4
SCHEMBL18633095 0.86 EGFR (0.53) EGFRERBB2STK25CITCHEK1
SCHEMBL21965724 0.80 EGFR (0.63) EGFRERBB2CITGAKSTK10
SCHEMBL15112797 0.78 EGFR (0.80) EGFRERBB2CITGAKSTK10
SCHEMBL21761329 0.77 EGFR (0.47) EGFRERBB2ERBB4
SCHEMBL19779461 0.75 EGFR (0.59) EGFRERBB2GAKLCKSRC
SCHEMBL18427554 0.74 EGFR (0.63) EGFRERBB2GAKLCKSRC
SCHEMBL18595973 0.73 EGFR (0.50) EGFRERBB2GAKLCKSRC
SCHEMBL18595837 0.72 EGFR (0.51) EGFRERBB2GAKLCKSRC
SCHEMBL18427475 0.72 EGFR (0.49) EGFRERBB2GAKLCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2612860-B1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2017-03-15 — — EP disclosed
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