SCHEMBL2955230

SCHEMBL2955230

CC#Cc1ccc(Nc2nc(NC3CCCCC3)c3ncnc-3[nH]2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.37
EGFR P00533 1/20 0.35
TTK P33981 2/20 0.35
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 1/20 0.33
TP53 P04637 4/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 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
SCHEMBL2949146 0.89 AXL (0.34) KHKEGFRTTKAXLMERTK
SCHEMBL3700038 0.89 KHK (0.35) KHKEGFRTTKAXLMERTK
SCHEMBL2952945 0.89 MAP3K14 (0.35) KHKEGFRTTKAXLMERTK
SCHEMBL3034434 0.87 EGFR (0.37) KHKEGFRTTKAXLMERTK
SCHEMBL3037180 0.84 IRAK4 (0.33) KHKEGFRTTKTP53LMNA
SCHEMBL3039780 0.84 TTK (0.41) KHKEGFRTTK
SCHEMBL3706739 0.83 TTK (0.40) KHKTTK
SCHEMBL3704351 0.82 FLT3 (0.34) KHKEGFRTTKMERTKTP53
SCHEMBL2946321 0.81 TTK (0.34) EGFRTTKJAK2JAK1
SCHEMBL2951446 0.80 MAP3K14 (0.41) TTKJAK1CSNK1D

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