SCHEMBL30289904

SCHEMBL30289904

Nc1ccc2c(=O)[nH]c(Nc3cc(F)cc(F)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ EGFR P00533 1/20 0.40
▸ TYMS P04818 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ELANE P08246 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CSNK2A1 P68400 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL30289949 0.84 MAPT (0.52) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL32666102 0.84 MAPT (0.61) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL30289854 0.82 KDM4E (0.71) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL30289842 0.82 KDM4E (0.47) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL30289960 0.81 MAPT (0.47) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL30289867 0.80 RIPK1 (0.49) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL30289806 0.78 MAPT (0.45) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL30289840 0.75 MEN1 (0.53) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL32666096 0.74 MEN1 (0.59) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL30289922 0.73 TAAR1 (0.52) MAPTMEN1KMT2AKDM4ERAB9A

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
Send feedback