SCHEMBL28812376

SCHEMBL28812376

CC(=O)c1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 14/20 0.78
▸ ABL1 P00519 12/20 0.78
▸ BCR P11274 8/20 0.78
▸ PDGFRB P09619 6/20 0.78
▸ PRKCA P17252 2/20 0.77
▸ EGFR P00533 2/20 0.77
▸ KIT P10721 6/20 0.72
▸ JAK3 P52333 1/20 0.68
▸ BTK Q06187 1/20 0.68
▸ ITK Q08881 1/20 0.68
▸ KDR P35968 1/20 0.68
▸ ABL2 P42684 1/20 0.68

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
SCHEMBL27604250 0.89 ABL1 (0.78) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL12715062 0.88 ABL1 (0.77) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL4803395 0.88 PDGFRA (0.87) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL9820 0.88 PDGFRA (1.00) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL2004455 0.88 PDGFRA (0.91) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13157377 0.87 ABL1 (0.81) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL3055349 0.87 PDGFRA (0.89) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL3219529 0.87 ABL1 (0.77) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL13498211 0.87 PDGFRA (0.88) PDGFRAABL1BCRPDGFRBPRKCA
SCHEMBL9782 0.87 PDGFRA (1.00) PDGFRAABL1BCRPDGFRBPRKCA

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-102372690-B Intermediate for synthesizing imatinib and application of intermediate in imatinib synthesis CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD 2014-05-28 — — CN disclosed
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