SCHEMBL27821906

SCHEMBL27821906

COc1cc(-c2cc(NC(=O)Cc3cc[nH]c3)ncn2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 3/20 0.51
▸ CACNA1H O95180 9/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ANO1 Q5XXA6 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39

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
SCHEMBL27800945 0.85 CDK9 (0.69) CDK9CACNA1HMEN1KMT2ARAB9A
SCHEMBL27821928 0.83 CDK9 (0.47) CDK9CACNA1HMEN1KMT2ARAB9A
SCHEMBL27821788 0.83 CDK9 (0.51) CDK9CACNA1HMEN1KMT2ARAB9A
SCHEMBL28789685 0.83 CDK9 (0.51) CDK9CACNA1HMEN1KMT2ARAB9A
SCHEMBL1849533 0.83 CDK9 (0.74) CDK9KMT2A
SCHEMBL27821812 0.83 MEN1 (0.56) CDK9MEN1KMT2ARIOK2
SCHEMBL27801096 0.82 CDK9 (0.71) CDK9CACNA1HRIOK2
SCHEMBL27800912 0.81 CDK9 (0.48) CDK9MEN1KMT2AANO1AAK1
SCHEMBL27800967 0.80 CDK9 (0.49) CDK9MEN1KMT2ARAB9AANO1
SCHEMBL27822255 0.79 CDK9 (0.46) CDK9CACNA1HMEN1KMT2AANO1

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
CN-101889004-A Protein kinase inhibitors INGENIUM PHARMACEUTICALS GMBH 2010-11-17 — — CN disclosed
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