SCHEMBL30417005

SCHEMBL30417005

Clc1cc2nc(Nc3ccccc3)[nH]c2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
CSNK1A1 P48729 3/20 0.50
CSNK1D P48730 3/20 0.50
GSK3B P49841 2/20 0.50
CSNK1G2 P78368 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC11 Q96DB2 2/20 0.48
AKR1C3 P42330 1/20 0.48
HDAC6 Q9UBN7 1/20 0.44
PDE10A Q9Y233 1/20 0.44
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
DDX3X O00571 1/20 0.43
RHEB Q15382 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29014398 1.00 RIPK1 (0.55) RIPK1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL28837680 0.83 POLB (0.56) RIPK1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5365311 0.81 KDM4E (0.52) CSNK1A1CSNK1DGSK3BCSNK1G2POLB
SCHEMBL30822891 0.81 HDAC11 (0.62) RIPK1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL9718873 0.79 MEN1 (0.58) RIPK1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL9718864 0.79 RIPK1 (0.63) RIPK1CSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL5361414 0.78 KDR (0.49) CSNK1A1CSNK1DGSK3BCSNK1G2POLB
SCHEMBL4164559 0.78 KDR (0.63) CSNK1A1CSNK1DGSK3BCSNK1G2POLB
SCHEMBL20096459 0.78 HDAC11 (0.78) POLBMEN1KMT2AHDAC11AKR1C3
SCHEMBL29624674 0.78 HDAC11 (0.78) POLBMEN1KMT2AHDAC11AKR1C3

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-114890952-B Preparation method of 5-halogeno-2-aminobenzoazacyclic compound 重庆医科大学 2023-06-06 CN disclosed