SCHEMBL4700053

SCHEMBL4700053

COc1nc(Nc2cccc(Cl)c2F)c2ccc(OC3CCN(C(=O)C4CCCO4)CC3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.46
▸ ERBB2 P04626 9/20 0.43
▸ GAK O14976 1/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ RET P07949 1/20 0.42
▸ EPHA1 P21709 1/20 0.42
▸ ERBB3 P21860 1/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ EPHB2 P29323 1/20 0.42
▸ EPHA5 P54756 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ EPHA4 P54764 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ PTK6 Q13882 1/20 0.42
▸ RIPK3 Q9Y572 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4080241 0.79 EGFR (0.74) EGFRERBB2GAKRIPK2LYN
SCHEMBL4700054 0.79 NAMPT (0.42) EGFRERBB2NAMPTALDH1A1SMN1; SMN2
SCHEMBL4090572 0.79 EGFR (0.74) EGFRERBB2GAKRIPK2LYN
SCHEMBL1386571 0.79 EGFR (0.74) EGFRERBB2GAKRIPK2LYN
SCHEMBL4156430 0.68 EGFR (0.61) EGFR
SCHEMBL14353338 0.68 EGFR (0.53) EGFRERBB2EPHA2EPHB4
SCHEMBL18318200 0.67 PIK3CD (0.46) NAMPTPIK3CDPIK3CAALDH1A1SMN1; SMN2
SCHEMBL18318202 0.67 PIK3CD (0.46) NAMPTPIK3CDPIK3CAALDH1A1SMN1; SMN2
SCHEMBL29781310 0.67 EGFR (0.59) EGFRERBB2GAKRIPK2LYN
SCHEMBL12838832 0.67 EGFR (0.70) EGFRERBB2EPHA2EPHB4

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-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 — — EP claimed
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