SCHEMBL2953676

SCHEMBL2953676

COc1cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1-n1cnc2c(N)nc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
FLT3 P36888 1/20 0.37
DYRK1A Q13627 1/20 0.37
FYN P06241 3/20 0.36
DHFR P00374 2/20 0.36
HRH4 Q9H3N8 3/20 0.36
ACHE P22303 1/20 0.36
ALK Q9UM73 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35
CDK11A Q9UQ88 1/20 0.35

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
SCHEMBL30399128 0.93 FYN (0.41) EGFRSIRT6FLT3DYRK1AFYN
SCHEMBL2946282 0.85 CNR1 (0.36) DHFRALK
SCHEMBL2954051 0.84 DHFR (0.44) DHFR
SCHEMBL2952950 0.82 DHFR (0.43) FLT3FYNDHFRALK
SCHEMBL2953492 0.82 TTK (0.47) ALK
SCHEMBL2951209 0.80 KDM4E (0.42) DHFRHRH4
SCHEMBL2950126 0.77 TTK (0.42) DHFR
SCHEMBL2953119 0.76 TTK (0.43) EGFRFLT3ALK
SCHEMBL2948890 0.75 TTK (0.45) DHFRALK
SCHEMBL2952077 0.74 INSR (0.42) EGFRALK

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed