SCHEMBL18455035

SCHEMBL18455035

CC(C)(C)COc1ccc(Nc2nc(-c3ccc4c(c3)NCCO4)cn3ccnc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.70
AURKA O14965 6/20 0.49
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
ROS1 P08922 1/20 0.46
CSNK2A2 P19784 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
BTK Q06187 1/20 0.46
PTK6 Q13882 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46

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
SCHEMBL2483078 0.94 SYK (0.68) SYKAURKAJAK2NTRK1ROS1
SCHEMBL2476048 0.87 SYK (0.68) SYKAURKAJAK2NTRK1ROS1
SCHEMBL2475525 0.86 SYK (0.69) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL2479122 0.86 SYK (0.66) SYKAURKA
SCHEMBL2478833 0.86 SYK (0.71) SYKAURKAJAK2NTRK1ROS1
SCHEMBL2482698 0.85 SYK (0.70) SYKAURKAJAK2NTRK1ROS1
SCHEMBL18499156 0.82 SYK (0.79) SYKAURKA
SCHEMBL2480245 0.82 SYK (1.00) SYK
SCHEMBL2898376 0.82 SYK (0.69) SYKAURKA
SCHEMBL2480712 0.81 SYK (0.83) SYKAURKAJAK2NTRK1ROS1

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
EP-3123864-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2017-02-01 EP disclosed