SCHEMBL21067387

SCHEMBL21067387

Nc1nc2c(CCc3ccccc3)c3nc[nH]c3cc2c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QTRT1 Q9BXR0 2/20 0.76
PNP P00491 6/20 0.46
BACE1 P56817 1/20 0.44
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
MMP12 P39900 2/20 0.41
DHFR P00374 1/20 0.39
TYMS P04818 1/20 0.39

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
SCHEMBL29941519 0.89 QTRT1 (0.79) QTRT1PNPTYMS
SCHEMBL21068028 0.89 QTRT1 (0.79) QTRT1PNPTYMS
SCHEMBL21067931 0.86 QTRT1 (1.00) QTRT1PNPTYMS
SCHEMBL29941448 0.86 QTRT1 (1.00) QTRT1PNPTYMS
SCHEMBL7162988 0.68 FOLR1 (0.55) QTRT1BACE1DHFR
SCHEMBL15846408 0.65 IP6K1 (0.60) IP6K1IP6K3IP6K2
SCHEMBL4245709 0.65 AOC3 (0.54) PNPBACE1DHFR
SCHEMBL17186255 0.64 PNP (0.75) PNP
SCHEMBL9725060 0.64 PNP (1.00) PNP
SCHEMBL6268532 0.64 PNP (0.79) PNP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed