SCHEMBL1924695

SCHEMBL1924695

CC(C)c1cc(C(=O)c2cccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)c2)c2c(N)ncnn12

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.85
▸ NTRK2 Q16620 6/20 0.78
▸ PDGFRB P09619 1/20 0.48
▸ AURKB Q96GD4 4/20 0.45
▸ AURKA O14965 4/20 0.45
▸ KDR P35968 5/20 0.43
▸ ERBB4 Q15303 3/20 0.43
▸ LCK P06239 2/20 0.43
▸ FYN P06241 2/20 0.43
▸ LYN P07948 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ MARK3 P27448 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ MAPK9 P45984 2/20 0.43
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ BLK P51451 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ STK3 Q13188 2/20 0.43
▸ ROCK1 Q13464 2/20 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
SCHEMBL1924204 0.92 NTRK1 (0.83) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1924757 0.92 NTRK1 (1.00) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1925208 0.90 NTRK1 (0.89) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1925247 0.90 NTRK1 (0.88) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1924486 0.90 NTRK1 (0.91) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1925269 0.90 NTRK1 (0.88) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1924690 0.90 NTRK1 (0.88) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1924684 0.89 NTRK1 (0.89) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1924680 0.89 NTRK1 (0.83) NTRK1NTRK2PDGFRBAURKBAURKA
SCHEMBL1924636 0.88 NTRK1 (0.85) NTRK1NTRK2PDGFRBAURKBAURKA

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
EP-1948664-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-08 — — EP disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US disclosed
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