SCHEMBL14863737

SCHEMBL14863737

Cn1cc(-c2ccccc2C[C@H](N)CO)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 1/20 0.45
▸ SMARCA4 P51532 1/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.41
▸ PDK2 Q15119 8/20 0.41
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ ADRA1A P35348 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ DRD1 P21728 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL25022660 0.78 DPP4 (0.52) SMARCA2SMARCA4BRD4PDK2ALOX5AP
SCHEMBL5228165 0.77 KMT2A (0.59) KMT2A
SCHEMBL14863738 0.77 CCNC (0.46) HDAC8
SCHEMBL31048702 0.76 BRD4 (0.54) SMARCA2SMARCA4BRD4PDK2ALOX5AP
SCHEMBL20777560 0.76 SMARCA2 (0.47) SMARCA2SMARCA4BRD4PDK2ALOX5AP
SCHEMBL14863029 0.75 KCNA5 (0.54) HDAC8PRKCIIRAK1KMT2A
SCHEMBL20773248 0.75 CFD (0.52) SMARCA2SMARCA4BRD4PDK2GRM2
SCHEMBL14860265 0.75 CTSV (0.49) HDAC8IRAK1IRAK4
SCHEMBL14863120 0.74 KCNA5 (0.62) KMT2A
SCHEMBL31181988 0.74 BRD4 (0.48) SMARCA2SMARCA4BRD4PDK2ALOX5AP

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-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 — — WO disclosed
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