SCHEMBL8895490

SCHEMBL8895490

CCOC(=O)c1ncn(-c2ccc3ccccc3c2N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 5/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA1 P14867 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
TSHR P16473 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43

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
SCHEMBL8893127 0.83 MAPK1 (0.45) KMT2ARAB9ANPC1KDM4EMAPK1
SCHEMBL8558986 0.81 GABRG2 (0.51) KDM4EGABRG2GABRB3GABRA5GABRA1
SCHEMBL16935799 0.76 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4963197 0.75 TP53 (0.58) RAB9ANPC1KDM4EGABRG2GABRB3
SCHEMBL23611832 0.74 BRD4 (0.45) RAB9AGABRG2GABRB3GABRA5GABRA1
SCHEMBL21979193 0.73 PDE4D (0.53) RAB9ANPC1KDM4EGABRG2GABRB3
SCHEMBL21621661 0.72 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL14692520 0.72 PDE4B (0.46) KMT2AGABRG2GABRB3GABRA5GABRA1
SCHEMBL4122649 0.72 KMT2A (0.58) KMT2ARAB9ANPC1KDM4EMAPK1
SCHEMBL15110383 0.72 KMT2A (0.67) KMT2ARAB9ANPC1KDM4EMAPK1

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-1997034896-A1 NOVEL HETEROCYCLICALLY SUBSTITUTED IMIDAZOLOQUINOXALINONES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 WO disclosed