SCHEMBL1924944

SCHEMBL1924944

COC(=O)[C@@H](NC(=O)Nc1cccc(C(=O)c2cc(C(C)C)n3ncnc(N)c23)c1)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.76
▸ NTRK2 Q16620 6/20 0.71
▸ THRB P10828 1/20 0.47
▸ PDGFRB P09619 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDR P35968 4/20 0.39
▸ AURKA O14965 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ FYN P06241 2/20 0.39
▸ LYN P07948 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ MARK3 P27448 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ GSK3A P49840 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ BLK P51451 2/20 0.39

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
SCHEMBL3980180 0.92 NTRK1 (0.80) NTRK1NTRK2PDGFRBKDRAURKA
SCHEMBL1923890 0.88 NTRK1 (0.73) NTRK1NTRK2PDGFRBNPSR1MAPK1
SCHEMBL1924757 0.87 NTRK1 (1.00) NTRK1NTRK2PDGFRBMEN1KMT2A
SCHEMBL1924946 0.86 NTRK1 (0.75) NTRK1NTRK2PDGFRBMEN1CYP2C9
SCHEMBL1923992 0.85 NTRK1 (0.83) NTRK1NTRK2PDGFRBKDRAURKA
SCHEMBL1925441 0.85 NTRK1 (0.83) NTRK1NTRK2PDGFRBKDRAURKA
SCHEMBL1925867 0.85 NTRK1 (0.83) NTRK1NTRK2PDGFRBKDRAURKA
SCHEMBL1925521 0.85 NTRK1 (0.83) NTRK1NTRK2PDGFRBKDRAURKA
SCHEMBL1926377 0.85 NTRK1 (0.85) NTRK1NTRK2PDGFRBMEN1KMT2A
SCHEMBL1924937 0.84 NTRK1 (0.88) NTRK1NTRK2PDGFRBKDRAURKA

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
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP disclosed
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