SCHEMBL3152938

SCHEMBL3152938

O=[C]c1ccnc2nc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ BRD4 O60885 3/20 0.39
▸ CYP3A4 P08684 9/20 0.38
▸ CYP3A5 P20815 4/20 0.38
▸ PI4KA P42356 2/20 0.37
▸ PI4K2B Q8TCG2 2/20 0.37
▸ PI4K2A Q9BTU6 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ G6PD P11413 1/20 0.36
▸ PBK Q96KB5 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
SCHEMBL30255027 0.81 CYP3A4 (0.43) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL3670084 0.81 CYP3A4 (0.43) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL323982 0.74 ALDH1A1 (0.52) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL2001255 0.73 ALDH1A1 (0.42) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL19778900 0.69 ALDH1A1 (0.46) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL3974202 0.69 ALDH1A1 (0.46) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL22830483 0.69 ALDH1A1 (0.46) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL1165562 0.69 ALDH1A1 (0.46) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL7108989 0.69 PI4KA (0.50) ALDH1A1BRD4CYP3A4CYP3A5PI4KA
SCHEMBL2493987 0.69 BRD4 (0.51) ALDH1A1BRD4PI4KAPI4K2BPI4K2A

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-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 — — EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 — — EP disclosed
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