SCHEMBL19981186

SCHEMBL19981186

N=Cc1ccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)cc1N

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 19/20 0.71
CD63 P08962 2/20 0.71
JAK2 O60674 1/20 0.65
NTRK1 P04629 1/20 0.65
ROS1 P08922 1/20 0.65
CSNK2A2 P19784 1/20 0.65
FLT3 P36888 1/20 0.65
CSNK2B P67870 1/20 0.65
CSNK2A1 P68400 1/20 0.65
BTK Q06187 1/20 0.65
PTK6 Q13882 1/20 0.65
CSNK2A3 Q8NEV1 1/20 0.65
AURKA O14965 1/20 0.64

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
SCHEMBL27306130 0.92 SYK (0.60) SYKCD63JAK2NTRK1ROS1
SCHEMBL18455117 0.91 SYK (0.60) SYKCD63JAK2NTRK1ROS1
SCHEMBL18455114 0.89 SYK (0.68) SYKCD63JAK2NTRK1ROS1
SCHEMBL18455219 0.87 SYK (0.54) SYKCD63JAK2NTRK1ROS1
SCHEMBL2476114 0.86 SYK (0.70) SYKCD63JAK2NTRK1ROS1
SCHEMBL2482275 0.86 AURKA (0.79) SYKCD63JAK2NTRK1ROS1
SCHEMBL2479430 0.85 SYK (0.71) SYKCD63JAK2NTRK1ROS1
SCHEMBL24864097 0.84 SYK (0.79) SYKCD63JAK2NTRK1ROS1
SCHEMBL2477684 0.83 SYK (0.66) SYKCD63JAK2NTRK1ROS1
SCHEMBL18455121 0.83 AURKA (0.51) SYKCD63JAK2NTRK1ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3076976-B1 METHODS FOR TREATING CANCERS GILEAD SCIENCES INC (US) 2020-09-02 EP disclosed
EP-3027618-B1 POLYMORPH OF SYK INHIBITORS GILEAD CONNECTICUT INC (US) 2020-07-08 EP disclosed
WO-2019040298-A1 POLYMORPHS OF SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2019-02-28 WO disclosed
WO-2018053190-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-22 WO disclosed
WO-2018053189-A2 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-22 WO disclosed