SCHEMBL23052047

SCHEMBL23052047

CC(C)c1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.69
▸ ERBB2 P04626 8/20 0.69
▸ LMNA P02545 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ ERBB3 P21860 2/20 0.56
▸ KDR P35968 2/20 0.56
▸ PTK2 Q05397 2/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ ACHE P22303 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ PRKCZ Q05513 1/20 0.52

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
SCHEMBL23052315 1.00 EGFR (0.69) EGFRERBB2LMNAPKMCA1
SCHEMBL15301033 0.94 EGFR (0.62) EGFRERBB2LMNAERBB3KDR
SCHEMBL15301281 0.91 MEN1 (0.60) EGFRERBB2CA1CA2ERBB3
SCHEMBL15300830 0.91 EGFR (0.65) EGFRERBB2LMNACA1CA2
SCHEMBL2687295 0.90 EGFR (0.78) EGFRERBB2LMNACA1CA2
SCHEMBL15301173 0.89 PRKCZ (0.64) EGFRERBB2LMNACA1CA2
SCHEMBL15301362 0.89 MEN1 (0.60) EGFRERBB2LMNACA1CA2
SCHEMBL18040117 0.87 PRKCZ (0.62) EGFRERBB2LMNAPKMERBB3
SCHEMBL31429970 0.87 EGFR (0.74) EGFRERBB2LMNACA1CA2
SCHEMBL15301210 0.86 MEN1 (0.64) EGFRERBB2LMNACA1CA2

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-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 — — WO disclosed
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