SCHEMBL3969929

SCHEMBL3969929

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1-c1cc(-c2c(C)noc2C)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.62
AXL P30530 2/20 0.56
JAK2 O60674 7/20 0.50
JAK3 P52333 7/20 0.50
JAK1 P23458 6/20 0.50
BRD4 O60885 5/20 0.50
HDAC1 Q13547 3/20 0.50
TYK2 P29597 3/20 0.50
RET P07949 2/20 0.50
FLT3 P36888 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
BRAF P15056 2/20 0.48
BRDT Q58F21 2/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
ABL1 P00519 2/20 0.47
EGFR P00533 2/20 0.47
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47

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
SCHEMBL3973039 0.88 SRC (0.58) SRCAXLJAK2JAK3JAK1
SCHEMBL3972528 0.87 SRC (0.58) SRCAXLJAK2JAK3JAK1
SCHEMBL3965590 0.86 AXL (0.60) SRCAXLJAK2JAK3JAK1
SCHEMBL3967908 0.85 AXL (0.62) SRCAXLJAK2JAK3JAK1
SCHEMBL3963672 0.79 AXL (0.60) SRCAXLJAK2JAK3JAK1
SCHEMBL3968117 0.78 AXL (0.62) SRCAXLJAK2JAK3JAK1
SCHEMBL3969932 0.78 AXL (0.55) SRCAXLJAK2JAK3JAK1
SCHEMBL3969734 0.77 AXL (0.59) SRCAXLJAK2JAK3JAK1
SCHEMBL13881537 0.77 AXL (0.60) SRCAXLJAK2JAK3JAK1
SCHEMBL13881557 0.76 AXL (0.60) SRCAXLJAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 WO disclosed
WO-2023087027-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-05-19 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed