SCHEMBL20194239

SCHEMBL20194239

CC(C)N(N)/N=C(\N)c1cc(O)cc(Nc2ncnn3cccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 11/20 0.54
▸ EGFR P00533 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ MAP4K4 O95819 6/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL20194214 0.77 AAK1 (0.61) AAK1EGFRKDR
SCHEMBL16635577 0.70 AAK1 (1.00) AAK1
SCHEMBL16636115 0.70 AAK1 (1.00) AAK1EGFRKDR
SCHEMBL20194248 0.69 AAK1 (0.58) AAK1EGFRKDRMAP4K4
SCHEMBL20194146 0.67 FURIN (0.32) —
SCHEMBL20194246 0.66 AAK1 (0.56) AAK1EGFRKDRMAP4K4
SCHEMBL1461105 0.66 KDR (1.00) AAK1EGFRKDRMAP4K4
SCHEMBL20194221 0.65 AAK1 (0.52) AAK1EGFRKDRMAP4K4
SCHEMBL13495954 0.63 MAP4K4 (1.00) AAK1EGFRKDRMAP4K4IRAK4
SCHEMBL16646845 0.63 AAK1 (1.00) AAK1

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-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
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