SCHEMBL9718864

SCHEMBL9718864

c1ccc(Nc2ccc3nc(Nc4ccccc4)[nH]c3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.63
CSNK1D P48730 7/20 0.62
CSNK1A1 P48729 6/20 0.62
CSNK1G2 P78368 6/20 0.62
GSK3B P49841 5/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
AKR1C3 P42330 1/20 0.56
POLB P06746 1/20 0.55
HDAC6 Q9UBN7 2/20 0.54
DDX3X O00571 1/20 0.53
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
PDE10A Q9Y233 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP26A1 O43174 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9718873 0.87 MEN1 (0.58) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
SCHEMBL9368584 0.84 RAB9A (0.60) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
SCHEMBL18236211 0.84 ADORA2A (0.64) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
SCHEMBL1663106 0.84 MEN1 (0.68) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
Hydrochloric Acid SCHEMBL9368917 0.83 RAB9A (0.59) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
SCHEMBL239690 0.82 MEN1 (0.75) RIPK1MEN1KMT2AAKR1C3POLB
SCHEMBL30020996 0.82 MEN1 (0.75) RIPK1MEN1KMT2AAKR1C3POLB
SCHEMBL29986068 0.81 CSNK1D (0.85) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B
SCHEMBL29569984 0.81 KDR (0.69) MEN1KMT2APOLBRAF1BRAF
SCHEMBL18233050 0.80 CSNK1D (0.64) RIPK1CSNK1DCSNK1A1CSNK1G2GSK3B

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
US-5151472-A Dissolving polyetherimides in a solvent, adding a dianhydride and a diamine, reacting to form a polyamic acid and cyclizing to form a polyimide GENERAL DYNAMICS CORPORATION, CONVAIR DIVISION (US) 1992-09-29 US claimed