SCHEMBL24344177

SCHEMBL24344177

CC(C)c1cnc2c(N=O)c(CN3CCOCC3)ccn2c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ CYP2A13 Q16696 1/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17808789 0.85 CYP2C9 (0.47) MEN1KMT2AMAPTCYP2A13HSD17B10
SCHEMBL17808786 0.69 HSD17B10 (0.46) KMT2AMAPTHSD17B10CYP2C9ALOX15
SCHEMBL24345069 0.67 HSD17B10 (0.47) KMT2AMAPTHSD17B10CYP2C9ALOX15
SCHEMBL17808907 0.67 CYP2C9 (0.43) KMT2AMAPTHSD17B10CYP2C9ALOX15
SCHEMBL4111089 0.67 CYP2A13 (0.63) MEN1KMT2AMAPTCYP2A13KCNH2
SCHEMBL24344159 0.66 CCNE1 (0.38) MEN1KMT2AKDM5BKDM4E
SCHEMBL23696453 0.65 KDM5A (0.33) MAPTKDM4E
SCHEMBL24345089 0.65 KDM4E (0.35) MAPTCYP2A13HSD17B10CYP2C9ALOX15
SCHEMBL17808743 0.65 CYP2C9 (0.44) KMT2AMAPTHSD17B10CYP2C9ALOX15
SCHEMBL8517029 0.65 GAA (0.49) MEN1KMT2ACYP2A13HSD17B10CYP2C9

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
EP-3227292-B1 4H-PYRIDO[1,2-a]PYRIMIDIN-4-ONE COMPOUNDS ALTERITY THERAPEUTICS LTD (AU) 2022-03-09 — — EP disclosed
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