SCHEMBL27334256

SCHEMBL27334256

Nc1nc(-c2ccccc2)c(-c2ccccc2)nc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 4/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ATM Q13315 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KDR P35968 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44

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
SCHEMBL2714568 0.86 MAPT (0.60) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL20667905 0.78 ADORA2A (0.54) L3MBTL1ABCG2ADORA2ABCL6KDM4E
SCHEMBL20667914 0.78 ADORA2A (0.45) MAPTLMNAGAAHPGDKDR
SCHEMBL14733300 0.77 ADORA2A (0.60) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL5152832 0.77 MERTK (0.41) MAPTLMNAGAAHPGDCYP1A2
SCHEMBL30186735 0.75 ADORA2A (0.59) MAPTLMNAGAAHPGDKDR
SCHEMBL23173620 0.73 CSNK1A1 (0.59) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL7243844 0.72 KMT2A (0.54) MAPTLMNAGAAHPGDALDH1A1
SCHEMBL2326942 0.71 CSNK1A1 (0.58) MAPTLMNAGAAALDH1A1KMT2A
SCHEMBL1325059 0.71 EGFR (0.50) MAPTLMNAGAAHPGDALDH1A1

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-2024080842-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 에스케이 주식회사 2024-04-18 WO disclosed