SCHEMBL3790697

SCHEMBL3790697

NCCCn1ccc2cnc(Nc3ccc4[nH]ncc4c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
JAK3 P52333 3/20 0.46
RPS6KA3 P51812 3/20 0.45
STAT6 P42226 1/20 0.44
KDR P35968 8/20 0.43
WEE1 P30291 3/20 0.43
ALK Q9UM73 3/20 0.43
AURKA O14965 2/20 0.43
DAPK3 O43293 2/20 0.43
JAK2 O60674 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
NTRK1 P04629 2/20 0.43
LCK P06239 2/20 0.43
FYN P06241 2/20 0.43
CSF1R P07333 2/20 0.43
RET P07949 2/20 0.43
IGF1R P08069 2/20 0.43
MET P08581 2/20 0.43

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
SCHEMBL3790694 0.85 JAK3 (0.50) CDC7JAK3RPS6KA3STAT6KDR
SCHEMBL15163177 0.82 TBK1 (0.51) CDC7JAK3RPS6KA3STAT6KDR
SCHEMBL1284474 0.80 TBK1 (0.65) CDC7JAK3IKBKETBK1AURKB
SCHEMBL15163166 0.80 RPS6KA3 (0.47) JAK3RPS6KA3STAT6KDRALK
SCHEMBL3716518 0.79 RPS6KA3 (0.49) CDC7JAK3RPS6KA3STAT6KDR
SCHEMBL3719414 0.79 PTK2 (0.45) JAK3RPS6KA3STAT6KDRALK
SCHEMBL3721787 0.78 RPS6KA3 (0.48) JAK3RPS6KA3STAT6KDRALK
SCHEMBL15163478 0.78 CDK4 (0.53) CDC7JAK3RPS6KA3STAT6KDR
SCHEMBL3714024 0.76 RPS6KA3 (0.48) JAK3RPS6KA3STAT6KDRALK
SCHEMBL3715010 0.76 PTK2 (0.48) JAK3RPS6KA3STAT6KDRALK

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 4 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
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO disclosed