SCHEMBL27616280

SCHEMBL27616280

[CH2]c1c(-c2ccccc2OC)[nH]c2c(=O)[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
IDO1 P14902 1/20 0.41
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
ABL1 P00519 1/20 0.39
RAD52 P43351 1/20 0.39
RIN1 Q13671 1/20 0.39
PNP P00491 1/20 0.37
PDE5A O76074 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
MPO P05164 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3944832 0.82 HTT (0.48) BRD4IDO1FGFR1FGFR2ABL1
SCHEMBL10397598 0.68 IDO1 (0.66) IDO1
SCHEMBL30581184 0.68 IDO1 (0.66) IDO1
SCHEMBL3945684 0.68 HTT (0.41) BRD4IDO1ABL1RAD52RIN1
SCHEMBL15845607 0.67 IP6K1 (0.55) BRD4IDO1
SCHEMBL3234194 0.66 PARP1 (0.63) FGFR1ABL1RAD52RIN1
SCHEMBL13946131 0.66 HTT (0.58) IDO1HTT
SCHEMBL29554478 0.66 HTT (0.58) IDO1HTT
SCHEMBL31721711 0.64 IP6K1 (0.55) BRD4IDO1
SCHEMBL10355357 0.64 IDO1 (0.58) IDO1

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
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed