SCHEMBL17864441

SCHEMBL17864441

Cc1cc(-c2ccc3c(c2)CCCN3C)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.50
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
WDR5 P61964 1/20 0.44
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
KCNH2 Q12809 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MELK Q14680 1/20 0.34

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
SCHEMBL15603570 0.80 HDAC1 (0.53) NOTUMALDH1A1MEN1HPGDKMT2A
SCHEMBL17809581 0.78 WDR5 (0.50) NOTUMALDH1A1MEN1GAAMAPT
SCHEMBL15603591 0.75 HDAC1 (0.49) NOTUMALDH1A1MEN1GAAMAPT
SCHEMBL15603587 0.75 HDAC1 (0.51) NOTUMALDH1A1KMT2AHDAC1HDAC8
SCHEMBL15603589 0.75 HDAC1 (0.48) NOTUMALDH1A1MEN1HPGDKMT2A
SCHEMBL17809777 0.75 CYP11B2 (0.48) NOTUMALDH1A1MEN1GAAMAPT
SCHEMBL17809564 0.75 WDR5 (0.49) NOTUMALDH1A1MEN1GAAMAPT
SCHEMBL15603593 0.74 HDAC1 (0.50) NOTUMMAPTHDAC1HDAC8HDAC6
SCHEMBL17809621 0.74 ALDH1A1 (0.50) NOTUMALDH1A1MEN1GAAMAPT
SCHEMBL17809559 0.74 WDR5 (0.51) NOTUMALDH1A1MEN1GAAMAPT

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-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 WO disclosed