SCHEMBL28789685

SCHEMBL28789685

COc1cc(-c2cc(NC(=O)Cc3ccoc3)ncn2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.51
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ USP2 O75604 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CLK4 Q9HAZ1 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CACNA1H O95180 9/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RIOK2 Q9BVS4 2/20 0.41
▸ ANO1 Q5XXA6 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
SCHEMBL27800945 0.85 CDK9 (0.69) CDK9MEN1KMT2AALDH1A1CACNA1H
SCHEMBL27821812 0.83 MEN1 (0.56) CDK9MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1851113 0.83 CDK9 (0.74) CDK9MEN1KMT2AUSP2ALDH1A1
SCHEMBL27821788 0.83 CDK9 (0.51) CDK9MEN1KMT2ACACNA1HRAB9A
SCHEMBL27821906 0.83 CDK9 (0.51) CDK9MEN1KMT2ACACNA1HRAB9A
SCHEMBL27822255 0.83 CDK9 (0.46) CDK9MEN1KMT2AUSP2ALDH1A1
SCHEMBL27801096 0.82 CDK9 (0.71) CDK9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27800912 0.81 CDK9 (0.48) CDK9MEN1KMT2AUSP2CYP1A2
SCHEMBL27821793 0.81 MEN1 (0.52) CDK9MEN1KMT2AUSP2ALDH1A1
SCHEMBL27800967 0.80 CDK9 (0.49) CDK9MEN1KMT2AUSP2ALDH1A1

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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