SCHEMBL14375901

SCHEMBL14375901

Cc1ccc(NC(=O)c2ccc(CN3CCN(CCS(=O)(=O)O)CC3)cc2)cc1Nc1ncccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.65
▸ KIT P10721 16/20 0.65
▸ BCR P11274 9/20 0.65
▸ PDGFRA P16234 2/20 0.65
▸ RAD52 P43351 1/20 0.65
▸ ABL2 P42684 11/20 0.62
▸ PLK4 O00444 1/20 0.62
▸ DDX3X O00571 1/20 0.62
▸ GAK O14976 1/20 0.62
▸ SLC22A2 O15244 1/20 0.62
▸ MAPK13 O15264 1/20 0.62
▸ CA12 O43570 1/20 0.62
▸ SLC22A3 O75751 1/20 0.62
▸ ABCB11 O95342 1/20 0.62
▸ EGFR P00533 1/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ ALB P02768 1/20 0.62
▸ RAF1 P04049 1/20 0.62

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
SCHEMBL14375919 0.91 ABL1 (0.54) ABL1KITBCRPDGFRARAD52
SCHEMBL14375883 0.88 ABL1 (0.73) ABL1KITBCRPDGFRARAD52
SCHEMBL14375879 0.87 ABL1 (0.87) ABL1KITBCRPDGFRARAD52
SCHEMBL14375886 0.86 ABL1 (0.60) ABL1KITBCRPDGFRARAD52
SCHEMBL14375804 0.84 ALDH1A1 (0.64) ABL1KITBCRPDGFRARAD52
SCHEMBL14375954 0.80 ALDH1A1 (0.51) ABL1KITBCRPDGFRARAD52
SCHEMBL3988406 0.79 ABL1 (0.78) ABL1KITBCRPDGFRARAD52
Imatinib SCHEMBL15632914 0.79 ABL1 (1.00) ABL1KITBCRPDGFRARAD52
SCHEMBL13314477 0.79 ABL1 (0.86) ABL1KITBCRPDGFRARAD52
Imatinib SCHEMBL5004429 0.79 ABL1 (0.97) ABL1KITBCRPDGFRARAD52

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
US-7279576-B2 Anti-cancer medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-10-09 — — US disclosed
US-7279576-B2 Anti-cancer medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-10-09 — — US disclosed
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