SCHEMBL14208995

SCHEMBL14208995

COc1cc(-c2nc(/N=C\N(C)C)nc3cc[nH]c23)c(Cl)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30

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
SCHEMBL14208261 0.83 L3MBTL1 (0.33) L3MBTL1
SCHEMBL4736451 0.83 L3MBTL1 (0.33) L3MBTL1
SCHEMBL4736465 0.81 L3MBTL1 (0.33) L3MBTL1
SCHEMBL4736459 0.81 L3MBTL1 (0.33) L3MBTL1
SCHEMBL4731523 0.79 HSP90AA1 (0.40) AMY1AHSP90AA1HSP90AB1HTR2AHTR2C
SCHEMBL4786053 0.76 L3MBTL1 (0.40) L3MBTL1PKMTP53CYP1A2CYP2C9
SCHEMBL4786054 0.76 L3MBTL1 (0.40) L3MBTL1PKMTP53CYP1A2CYP2C9
SCHEMBL4735480 0.74 L3MBTL1 (0.32) L3MBTL1
SCHEMBL4735484 0.74 L3MBTL1 (0.32) L3MBTL1
SCHEMBL14207901 0.73 L3MBTL1 (0.40) L3MBTL1RAB9A

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-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 — — WO disclosed
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