SCHEMBL20194221

SCHEMBL20194221

CC(C)N/N=N\C(=N)c1cccc(Nc2ncnn3cccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 13/20 0.52
▸ EGFR P00533 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ MAP4K4 O95819 5/20 0.47

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
SCHEMBL20194206 0.82 AAK1 (0.57) AAK1EGFR
SCHEMBL20194197 0.77 AAK1 (0.60) AAK1EGFR
SCHEMBL20194215 0.76 AAK1 (0.48) AAK1EGFR
SCHEMBL20194178 0.76 AAK1 (0.60) AAK1EGFR
SCHEMBL20194253 0.76 AAK1 (0.62) AAK1EGFRKDR
SCHEMBL20194175 0.75 AAK1 (0.69) AAK1EGFR
SCHEMBL20194246 0.71 AAK1 (0.56) AAK1EGFRKDRMAP4K4
SCHEMBL20194130 0.68 F2 (0.45) —
SCHEMBL16636675 0.68 AAK1 (1.00) AAK1
SCHEMBL16636472 0.67 AAK1 (1.00) AAK1EGFRKDRMAP4K4

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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