SCHEMBL19429628

SCHEMBL19429628

Cc1ccc(C=O)c(=O)n1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
PLA2G1B P04054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APEX1 P27695 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PTGS2 P35354 1/20 0.40
HCAR1 Q9BXC0 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
SCHEMBL16695966 0.83 KDM4E (0.47) ALDH1A1SMN1; SMN2GSK3AGSK3BMEN1
SCHEMBL3970588 0.77 GSK3A (0.47) ALDH1A1SMN1; SMN2GSK3AGSK3BMAPK1
SCHEMBL3547671 0.76 ATM (0.46) ALDH1A1SMN1; SMN2GSK3AGSK3BMEN1
SCHEMBL65301 0.73 MAPT (0.54) ALDH1A1SMN1; SMN2GSK3AGSK3BMAPK1
SCHEMBL645648 0.73 POLB (0.68) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL680769 0.71 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL19429544 0.71 NPC1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5759510 0.70 KDM4E (0.45) ALDH1A1SMN1; SMN2GSK3AGSK3BMAPK1
SCHEMBL20861880 0.69 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL19429625 0.69 KMT2A (0.40) ALDH1A1SMN1; SMN2GSK3AGSK3BMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436461-B1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORP (US) 2023-11-01 EP disclosed
WO-2017172596-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORPORATION (US) 2017-10-05 WO disclosed