SCHEMBL18351982

SCHEMBL18351982

CCOC(=O)c1c(/C=C/N(C)C)nc(SC)nc1Nc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 4/20 0.46
MAPT P10636 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL16964114 0.92 LMNA (0.42) SYKMAPK1HTTTP53MAPT
SCHEMBL16964115 0.92 LMNA (0.42) SYKMAPK1HTTTP53MAPT
SCHEMBL12103452 0.89 TP53 (0.51) SYKMAPK1HTTTP53MAPT
SCHEMBL16964208 0.88 LMNA (0.45) SYKMAPK1HTTTP53MAPT
SCHEMBL16964209 0.88 LMNA (0.45) SYKMAPK1HTTTP53MAPT
SCHEMBL12103419 0.85 MAPT (0.39) SYKMAPK1HTTTP53MAPT
SCHEMBL12106816 0.84 MAPT (0.41) SYKMAPK1HTTTP53MAPT
SCHEMBL12103798 0.84 TP53 (0.39) SYKMAPK1HTTTP53MAPT
SCHEMBL1939342 0.83 SYK (0.55) SYKMAPK1HTTTP53MAPT
SCHEMBL12106915 0.83 TP53 (0.40) SYKMAPK1HTTTP53MAPT

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-2900639-B1 BICYCLIC DIHYDROPYRIDONE KINASE INHIBITORS PORTOLA PHARM INC (US) 2017-08-16 EP disclosed
US-9533986-B2 Bicyclic dihydropyridone kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed