SCHEMBL16515355

SCHEMBL16515355

CC(=O)Nc1ccc(F)c(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)c1.Fc1ccc(OCCN2CCOCC2)cc1-c1cccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.47
▸ BTK Q06187 3/20 0.47
▸ JAK2 O60674 3/20 0.46
▸ FGFR2 P21802 2/20 0.45
▸ SYK P43405 4/20 0.44
▸ JUN P05412 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ ITK Q08881 1/20 0.44
▸ JAK3 P52333 3/20 0.43
▸ SRC P12931 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 1/20 0.41

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
SCHEMBL29848065 0.93 JUN (0.48) EGFRBTKJAK2FGFR2SYK
SCHEMBL16514508 0.93 JUN (0.48) EGFRBTKJAK2FGFR2SYK
SCHEMBL29847734 0.88 JUN (0.51) EGFRBTKFGFR2SYKJUN
SCHEMBL16513858 0.88 JUN (0.51) EGFRBTKFGFR2SYKJUN
SCHEMBL29847956 0.88 EGFR (0.53) EGFRJAK2FGFR2JAK3FGFR1
SCHEMBL16513782 0.88 EGFR (0.53) EGFRJAK2FGFR2JAK3FGFR1
SCHEMBL16515169 0.87 EGFR (0.45) EGFRBTKJAK2FGFR2SYK
SCHEMBL16513571 0.87 JUN (0.48) EGFRBTKFGFR2SYKJUN
SCHEMBL29847725 0.87 JUN (0.48) EGFRBTKFGFR2SYKJUN
SCHEMBL16514888 0.85 SYK (0.47) EGFRBTKSYKJUNMAPK8

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-3035936-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NeuPharma, Inc. (US) 2016-06-29 — — EP claimed
WO-2015027222-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2015-02-26 — — WO claimed
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