SCHEMBL21733293

SCHEMBL21733293

COCc1nnc(C2CCCCC2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX15B O15296 1/20 0.40
ADCY1 Q08828 3/20 0.39
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL25375224 0.83 PKM (0.34) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL13453100 0.83 PKM (0.34) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL15033291 0.81 PKM (0.38) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL13179147 0.80 L3MBTL1 (0.49) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL18800277 0.80 L3MBTL1 (0.49) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL437505 0.79 PKM (0.39) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL408238 0.79 PKM (0.39) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL13193927 0.78 L3MBTL1 (0.47) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL11336747 0.77 ALDH1A1 (0.46) PKML3MBTL1KMT2APOLBMAPT
SCHEMBL14305100 0.76 L3MBTL1 (0.43) PKML3MBTL1KMT2APOLBMAPT

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-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed