SCHEMBL3715005

SCHEMBL3715005

NC(=O)CCn1ccc2cnc(Nc3cccnc3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.46
JAK2 O60674 10/20 0.45
JAK3 P52333 6/20 0.45
JAK1 P23458 5/20 0.45
TYK2 P29597 5/20 0.45
RPS6KA3 P51812 2/20 0.45
EGFR P00533 2/20 0.45
FGFR1 P11362 2/20 0.45
AURKA O14965 2/20 0.45
DCLK1 O15075 1/20 0.45
PDPK1 O15530 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
NTRK1 P04629 1/20 0.45
PRKCG P05129 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CDK1 P06493 1/20 0.45
LYN P07948 1/20 0.45

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
SCHEMBL15163477 0.84 CDK4 (0.53) JAK2JAK3JAK1TYK2RPS6KA3
SCHEMBL3719412 0.83 SYK (0.49) PTK2JAK2JAK3JAK1TYK2
SCHEMBL3715010 0.83 PTK2 (0.48) PTK2JAK2JAK3JAK1TYK2
SCHEMBL3713912 0.82 MAP3K5 (0.54) PTK2JAK2JAK3JAK1TYK2
SCHEMBL15163162 0.82 SYK (0.47) PTK2JAK2JAK3JAK1TYK2
SCHEMBL3714982 0.81 AURKA (0.53) PTK2JAK2JAK3TYK2RPS6KA3
SCHEMBL15163234 0.81 SYK (0.47) PTK2JAK2JAK3JAK1TYK2
SCHEMBL3716698 0.81 JAK2 (0.67) JAK2JAK3JAK1TYK2RPS6KA3
SCHEMBL3719296 0.81 SYK (0.49) PTK2JAK2JAK3JAK1TYK2
SCHEMBL3710049 0.80 JAK2 (0.44) JAK2JAK3JAK1TYK2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed