SCHEMBL30030964

SCHEMBL30030964

CCOc1cc2ncnc(Nc3cc(Br)ccc3OC)c2cc1OC1CCN(C(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.52
▸ KDR P35968 9/20 0.51
▸ FGFR1 P11362 7/20 0.51
▸ FLT1 P17948 7/20 0.51
▸ FLT4 P35916 6/20 0.51
▸ ERBB2 P04626 5/20 0.51
▸ PDGFRB P09619 2/20 0.51
▸ TEK Q02763 2/20 0.51
▸ EPHA2 P29317 2/20 0.51
▸ EPHB4 P54760 2/20 0.51
▸ ERBB4 Q15303 2/20 0.51
▸ RET P07949 2/20 0.51
▸ KIF5B P33176 2/20 0.51
▸ BMPR1B O00238 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ CIT O14578 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ EPHB6 O15197 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ ROCK2 O75116 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
SCHEMBL30032029 0.94 EGFR (0.58) EGFRKDRFGFR1FLT1FLT4
SCHEMBL27154368 0.87 EGFR (0.60) EGFRERBB2EPHB4RETRIPK2
SCHEMBL27136650 0.86 EGFR (0.56) EGFRKDRERBB2EPHA2EPHB4
SCHEMBL30822092 0.86 EGFR (0.56) EGFRKDRERBB2EPHA2EPHB4
SCHEMBL30820454 0.86 EGFR (0.59) EGFRKDRFGFR1FLT1FLT4
SCHEMBL27148399 0.86 EGFR (0.59) EGFRKDRFGFR1FLT1FLT4
SCHEMBL27152211 0.80 EGFR (0.62) EGFRERBB2EPHA2EPHB4RET
SCHEMBL30820508 0.80 EGFR (0.62) EGFRERBB2EPHA2EPHB4RET
SCHEMBL30031254 0.80 EGFR (0.52) EGFRKDRFGFR1FLT1FLT4
SCHEMBL30820521 0.79 EGFR (0.61) EGFRKDRFGFR1FLT1FLT4

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
WO-2022225238-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2022-10-27 — — WO disclosed
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