SCHEMBL3396296

SCHEMBL3396296

c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCSCC4)cc3)c2n1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.82
JAK2 O60674 1/20 0.82
NTRK1 P04629 1/20 0.82
ROS1 P08922 1/20 0.82
CSNK2A2 P19784 1/20 0.82
FLT3 P36888 1/20 0.82
CSNK2B P67870 1/20 0.82
CSNK2A1 P68400 1/20 0.82
BTK Q06187 1/20 0.82
PTK6 Q13882 1/20 0.82
CSNK2A3 Q8NEV1 1/20 0.82

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
SCHEMBL2480971 0.92 SYK (0.87) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL3422119 0.91 SYK (0.86) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL2479102 0.90 SYK (0.84) SYKJAK2NTRK1ROS1CSNK2A2
Entospletinib SCHEMBL2483776 0.90 SYK (1.00) SYKJAK2NTRK1ROS1CSNK2A2
Entospletinib SCHEMBL29355138 0.90 SYK (1.00) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL23911849 0.90 SYK (0.84) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL2482901 0.89 SYK (0.87) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL2481376 0.89 SYK (1.00) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL2898539 0.88 SYK (1.00) SYKJAK2NTRK1ROS1CSNK2A2
SCHEMBL2895957 0.88 SYK (0.83) SYKJAK2NTRK1ROS1CSNK2A2

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-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed