SCHEMBL6265756

SCHEMBL6265756

CCC(=O)Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.80
BCR P11274 14/20 0.80
PDGFRA P16234 9/20 0.80
PDGFRB P09619 6/20 0.80
KIT P10721 3/20 0.75
PRKCA P17252 3/20 0.74
EGFR P00533 2/20 0.74
JAK3 P52333 1/20 0.74
BTK Q06187 1/20 0.74
ITK Q08881 1/20 0.74

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
SCHEMBL4897200 0.92 PDGFRA (0.88) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL23246300 0.90 ABL1 (0.86) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL19556857 0.89 ABL1 (1.00) ABL1BCRPDGFRAPDGFRBKIT
Cyclohexane SCHEMBL5776157 0.87 ABL1 (0.81) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL11927813 0.86 PDGFRA (1.00) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL2004455 0.86 PDGFRA (0.91) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL29366684 0.86 ABL1 (0.83) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL28677768 0.86 ABL1 (0.83) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL19556647 0.86 ABL1 (0.80) ABL1BCRPDGFRAPDGFRBKIT
SCHEMBL9782 0.85 PDGFRA (1.00) ABL1BCRPDGFRAPDGFRBKIT

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
WO-2005065074-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-07-21 WO claimed
WO-2005065074-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-07-21 WO disclosed