SCHEMBL1647859

SCHEMBL1647859

O=C(NCc1cccnc1)c1cc2cnccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.71
CYP2C9 P11712 5/20 0.67
HDAC1 Q13547 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC2 Q92769 1/20 0.61
NCOR2 Q9Y618 1/20 0.61

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
SCHEMBL2760019 0.86 IDO1 (0.70) NAMPTCYP2C9HDAC1HDAC3HDAC2
SCHEMBL15246211 0.84 NAMPT (0.76) NAMPTCYP2C9HDAC1HDAC3HDAC2
SCHEMBL160039 0.84 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL30167651 0.84 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL30731252 0.84 HDAC1 (0.59) CYP2C9HDAC1
SCHEMBL28954653 0.83 NAMPT (0.78) NAMPTCYP2C9HDAC1HDAC3HDAC2
SCHEMBL25003553 0.82 NAMPT (0.69) NAMPTCYP2C9HDAC1HDAC3HDAC2
SCHEMBL28086946 0.81 NAMPT (0.80) NAMPTCYP2C9HDAC1HDAC3HDAC2
SCHEMBL16108035 0.81 NAMPT (0.85) NAMPTCYP2C9
SCHEMBL160706 0.81 NAMPT (1.00) NAMPTCYP2C9

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
WO-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 WO disclosed