SCHEMBL28775729

SCHEMBL28775729

COc1ccc(-c2cnc(Nc3cccc(C(=O)N4CCCC(NC=O)C4)c3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 5/20 0.52
▸ CDK12 Q9NYV4 5/20 0.52
▸ GAA P10253 1/20 0.51
▸ EGFR P00533 3/20 0.49
▸ ITK Q08881 2/20 0.49
▸ BTK Q06187 1/20 0.49
▸ GFER P55789 2/20 0.48
▸ CCNA2 P20248 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CDK7 P50613 3/20 0.47
▸ CCNH P51946 3/20 0.47
▸ MNAT1 P51948 3/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.45
▸ NTRK1 P04629 2/20 0.44
▸ PROKR1 Q8TCW9 1/20 0.43

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
SCHEMBL27739021 0.90 CDK12 (0.53) CCNKCDK12GAAEGFRITK
SCHEMBL13605582 0.87 SIRT5 (0.59) CCNKCDK12GAAGFERCCNA2
SCHEMBL13605575 0.87 GRM3 (0.52) CCNKCDK12GAAGFERSIRT5
SCHEMBL1734300 0.85 ALDH1A1 (0.49) CCNKCDK12GAASIRT5NTRK1
SCHEMBL13605608 0.85 RAB9A (0.54) CDK2NTRK1
SCHEMBL13605580 0.84 GRM5 (0.54) CDK2NTRK1
SCHEMBL13605609 0.84 LRRK2 (0.48) CCNKCDK12
SCHEMBL13605579 0.82 KMT2A (0.52) NTRK1
SCHEMBL13659590 0.80 MEN1 (0.51) CCNKCDK12SIRT5NTRK1
SCHEMBL1734419 0.80 L3MBTL3 (0.53) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101272685-A Diarylamine-containing compounds and compositions, and their use as modulators of C-KIT receptors IRM LLC (BM) 2008-09-24 — — CN claimed
CN-101272685-A Diarylamine-containing compounds and compositions, and their use as modulators of C-KIT receptors IRM LLC (BM) 2008-09-24 — — CN disclosed
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