SCHEMBL17571640

SCHEMBL17571640

C=Cc1nn(CC)c(=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.52
▸ TBXAS1 P24557 1/20 0.49
▸ RECQL P46063 1/20 0.48
▸ KAT2B Q92831 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL12877767 0.76 LMNA (0.64) MAPTTBXAS1RECQLNPSR1KMT2A
SCHEMBL13728276 0.75 MAPT (0.56) MAPTTBXAS1RECQLKAT2BNPSR1
SCHEMBL13829800 0.75 MAPT (0.60) MAPTTBXAS1RECQLKAT2BNPSR1
SCHEMBL13413651 0.72 MAPT (0.54) MAPTTBXAS1RECQLKAT2BALOX15
SCHEMBL3317990 0.71 RECQL (0.55) MAPTTBXAS1RECQLKAT2BNPSR1
SCHEMBL12877226 0.70 MAPT (0.58) MAPTRECQLALOX15ALDH1A1KMT2A
SCHEMBL12877772 0.70 TSHR (0.71) MAPTRECQLALOX15ALDH1A1KMT2A
SCHEMBL6890822 0.69 MAPT (1.00) MAPTRECQLALOX15ALDH1A1KMT2A
SCHEMBL10421950 0.68 MAPT (0.56) MAPTTBXAS1RECQLNPSR1ALOX15
SCHEMBL18967143 0.67 KMT2A (0.39) MAPTNPSR1ALDH1A1KMT2AGAA

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-2016036954-A1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-03-10 — — WO disclosed
Send feedback