SCHEMBL14686295

SCHEMBL14686295

CCCCOc1ccc(Nc2cc(N)c3nc([C@H]4CC[C@H](N)CC4)cn3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ MAPKAPK2 P49137 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PDGFRA P16234 6/20 0.33
▸ CCNE1 P24864 6/20 0.33
▸ CDK2 P24941 6/20 0.33
▸ GPR4 P46093 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL5458624 0.92 MAPKAPK2 (0.41) MAPTMAPK1ALOX15MAPKAPK2KDM4E
SCHEMBL22158559 0.88 MAPKAPK2 (0.39) MAPTMAPK1ALOX15MAPKAPK2GPR4
SCHEMBL14686148 0.87 RAB9A (0.40) MAPTMAPK1KDM4EGAACCNE1
SCHEMBL3018414 0.86 MAPKAPK2 (0.36) MAPTMAPK1ALOX15MAPKAPK2KDM4E
SCHEMBL3022444 0.82 MAPT (0.37) MAPTMAPK1MAPKAPK2KDM4ECCNE1
SCHEMBL14686135 0.82 IGF1R (0.35) CCNE1CDK2
SCHEMBL3530250 0.80 MAPKAPK2 (0.37) MAPTMAPKAPK2GPR4BACE1
SCHEMBL3531563 0.78 MAPKAPK2 (0.42) MAPTMAPK1ALOX15MAPKAPK2KDM4E
SCHEMBL3022919 0.78 MAPKAPK2 (0.42) MAPTMAPK1ALOX15MAPKAPK2KDM4E
SCHEMBL3559435 0.76 MAPKAPK2 (0.44) MAPTMAPK1ALOX15MAPKAPK2KDM4E

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-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP disclosed
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