SCHEMBL30289867

SCHEMBL30289867

O=c1[nH]c(Nc2cc(F)cc(F)c2)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.49
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ CSNK1G2 P78368 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ C1R P00736 2/20 0.41
▸ DAO P14920 1/20 0.41
▸ GUSB P08236 2/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40

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
SCHEMBL30289847 0.86 MAPT (0.64) RIPK1MEN1MAPTKMT2AKDM4E
SCHEMBL30289838 0.86 RIPK1 (0.49) RIPK1MEN1MAPTKMT2AKDM4E
SCHEMBL32666084 0.85 RIPK1 (0.67) RIPK1MEN1MAPTKMT2AKDM4E
SCHEMBL30289904 0.80 MAPT (0.52) MEN1MAPTKMT2AKDM4EEGFR
SCHEMBL30289854 0.78 KDM4E (0.71) MEN1MAPTKMT2AKDM4EPARP1
SCHEMBL30289842 0.78 KDM4E (0.47) MEN1MAPTKMT2AKDM4EF7
SCHEMBL30289960 0.77 MAPT (0.47) MEN1MAPTKMT2AKDM4EHDAC11
SCHEMBL32666092 0.77 RIPK1 (0.73) RIPK1MEN1MAPTKMT2AKDM4E
SCHEMBL32666091 0.77 RIPK1 (0.73) RIPK1MEN1MAPTKMT2AKDM4E
SCHEMBL7428429 0.76 PARP1 (0.54) MAPTKDM4EF7F3PARP1

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-2023054759-A1 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME 한국화학연구원 2023-04-06 — — WO disclosed
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