SCHEMBL6219896

SCHEMBL6219896

CC(C)(C)[C@H]1CC[C@@H](Nc2ncc(CCc3cccnc3)c3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ GBA1 P04062 7/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ FLT3 P36888 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ GAS6 Q14393 1/20 0.37
▸ HTR5A P47898 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ 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
SCHEMBL1383369 1.00 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EGBA1PDE4B
SCHEMBL6223355 1.00 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EGBA1PDE4B
SCHEMBL6223107 0.86 GBA1 (0.53) LMNAGBA1PDE4BPDE7AFLT3
SCHEMBL1386115 0.86 GBA1 (0.53) LMNAGBA1PDE4BPDE7AFLT3
SCHEMBL6223769 0.86 GBA1 (0.53) LMNAGBA1PDE4BPDE7AFLT3
SCHEMBL6223756 0.85 GRM4 (0.43) LMNAGBA1PDE4BPDE7AFLT3
SCHEMBL1383329 0.85 GRM4 (0.43) LMNAGBA1PDE4BPDE7AFLT3
SCHEMBL6223677 0.85 GRM4 (0.43) LMNAGBA1PDE4BPDE7AFLT3
SCHEMBL6337979 0.83 FLT1 (0.41) ALDH1A1LMNAKDM4EGBA1PDE4B
SCHEMBL1386339 0.73 KDR (0.48) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2

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-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP claimed
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