SCHEMBL4077575

SCHEMBL4077575

Cc1nccn1Cc1ccc(Nc2nc(-c3ccc(-c4ccc5c(c4)OCCO5)s3)c3cc[nH]c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
PTK2 Q05397 4/20 0.37
MAPT P10636 8/20 0.37
GAA P10253 6/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 3/20 0.36
TTK P33981 1/20 0.36
LMNA P02545 1/20 0.36
JAK1 P23458 1/20 0.35
CLK4 Q9HAZ1 3/20 0.34
CHEK1 O14757 2/20 0.34
AURKA O14965 2/20 0.34
DAPK3 O43293 2/20 0.34
MAP4K4 O95819 2/20 0.34
PAK4 O96013 2/20 0.34
ABL1 P00519 2/20 0.34
CSF1R P07333 2/20 0.34
RET P07949 2/20 0.34
LTK P29376 2/20 0.34
KDR P35968 2/20 0.34

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
SCHEMBL13883718 0.84 AXL (0.38) JAK2MAPTGAATP53TTK
SCHEMBL13883576 0.82 JAK2 (0.40) JAK2PTK2MAPTGAATP53
SCHEMBL13883627 0.82 JAK2 (0.37) JAK2PTK2TTKJAK1CLK4
SCHEMBL13883626 0.81 IKBKB (0.41) JAK2TTKJAK1CLK4AURKA
SCHEMBL3971650 0.81 TNIK (0.39) JAK2PTK2JAK1CLK4CHEK1
SCHEMBL3973621 0.80 JAK2 (0.38) JAK2PTK2TTKLMNAJAK1
SCHEMBL4407227 0.79 JAK1 (0.38) JAK2PTK2TTKJAK1CLK4
SCHEMBL4255795 0.79 JAK1 (0.38) JAK2PTK2TTKLMNAJAK1
SCHEMBL4081376 0.78 JAK2 (0.40) JAK2PTK2TTKLMNAJAK1
SCHEMBL13883557 0.78 IKBKB (0.40) JAK2PTK2TTKLMNAJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed