SCHEMBL1926486

SCHEMBL1926486

CC(C)c1cc(Cc2cccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c2)c2c(N)ncnn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK2 Q16620 4/20 0.77
▸ NTRK1 P04629 3/20 0.77
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ GBA1 P04062 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ AURKA O14965 2/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CSF1R P07333 1/20 0.44

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
SCHEMBL1924006 0.87 NTRK2 (1.00) NTRK2NTRK1MEN1KMT2AGBA1
SCHEMBL1924019 0.77 NTRK1 (0.86) NTRK2NTRK1NPC1RAB9AAURKA
SCHEMBL1926377 0.76 NTRK1 (0.85) NTRK2NTRK1MEN1KMT2ANPC1
SCHEMBL1924757 0.75 NTRK1 (1.00) NTRK2NTRK1MEN1KMT2AAURKA
SCHEMBL12537705 0.75 NTRK2 (0.79) NTRK2NTRK1MEN1KMT2ANPC1
SCHEMBL1925131 0.74 NTRK2 (1.00) NTRK2NTRK1NPC1RAB9AAURKA
SCHEMBL1924486 0.74 NTRK1 (0.91) NTRK2NTRK1AURKAPLK4DAPK3
SCHEMBL1925320 0.73 NTRK1 (0.79) NTRK2NTRK1MEN1KMT2ANPC1
SCHEMBL1925208 0.72 NTRK1 (0.89) NTRK2NTRK1NPC1RAB9AAURKA
SCHEMBL1924399 0.72 NTRK1 (0.82) NTRK2NTRK1NPC1RAB9AAURKA

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 claimed
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