SCHEMBL31019652

SCHEMBL31019652

Cc1cc(N2CN=Cc3ccccc32)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
AURKA O14965 3/20 0.30
AURKB Q96GD4 2/20 0.30

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
SCHEMBL30843927 0.70 SIGMAR1 (0.36) KDM4ENPC1GAA
SCHEMBL886893 0.70 SIGMAR1 (0.36) KDM4ENPC1GAA
SCHEMBL3689993 0.69 P2RX7 (0.33)
SCHEMBL2263869 0.66 KDM4E (0.32) KDM4EGAADRD2
SCHEMBL31006068 0.66 KDM4E (0.32) KDM4EGAADRD2
SCHEMBL28234956 0.63 P2RX4 (0.34)
SCHEMBL1666017 0.63
SCHEMBL2113726 0.63 MEN1 (0.45) L3MBTL1KDM4ENPC1GAAHSD17B10
SCHEMBL31441279 0.63 CYP11B2 (0.42) L3MBTL1
SCHEMBL7041384 0.62 P2RX4 (0.35)

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-2024141926-A1 NOVEL CRYSTAL FORM OF QUINAZOLINE DERIVATIVE COMPOUND AND PREPARATION METHOD THEREOF 에이치케이이노엔 주식회사 2024-07-04 WO disclosed