SCHEMBL19003136

SCHEMBL19003136

CC(C)c1nc2c(N3CCOCC3)nc(Cl)nc2n1C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
ATR Q13535 4/20 0.34
CYP3A4 P08684 2/20 0.33
CNR2 P34972 4/20 0.33
HRH3 Q9Y5N1 3/20 0.33
FLT3 P36888 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 2/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL9937975 0.92 YTHDC1 (0.38) YTHDC1SMN1; SMN2HDAC1ATRCYP3A4
SCHEMBL10008246 0.92 YTHDC1 (0.38) YTHDC1SMN1; SMN2HDAC1ATRCYP3A4
SCHEMBL16229481 0.86 YTHDC1 (0.35) YTHDC1HDAC1ATRCYP3A4
SCHEMBL30076448 0.85 YTHDC1 (0.34) YTHDC1HDAC1ATRHRH3FLT3
SCHEMBL9936683 0.85 YTHDC1 (0.34) YTHDC1HDAC1ATRHRH3FLT3
SCHEMBL19206330 0.84 YTHDC1 (0.39) YTHDC1SMN1; SMN2HDAC1ATRCYP3A4
SCHEMBL2673005 0.84 YTHDC1 (0.41) YTHDC1SMN1; SMN2HDAC1ATRCYP3A4
SCHEMBL9937313 0.83 YTHDC1 (0.44) YTHDC1
SCHEMBL9937867 0.83 HDAC1 (0.37) YTHDC1HDAC1ATRCNR2FLT3
SCHEMBL2113717 0.83 YTHDC1 (0.38) YTHDC1SMN1; SMN2HDAC1ATRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978500-B1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS GENENTECH INC (US) 2023-11-22 EP disclosed
EP-3389662-B1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-12-01 EP disclosed
WO-2017106647-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-06-22 WO disclosed