SCHEMBL3970201

SCHEMBL3970201

Cc1csc(-c2nc(Nc3ccc(CN4CCCCCC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TTK P33981 2/20 0.39
KDR P35968 4/20 0.39
CDK1 P06493 2/20 0.39
JAK1 P23458 1/20 0.38
AXL P30530 5/20 0.37
MERTK Q12866 3/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
MET P08581 2/20 0.37
PDPK1 O15530 1/20 0.37
ACP1 P24666 2/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL3967492 1.00 MAPK1 (0.41) MAPK1L3MBTL1TTKKDRCDK1
SCHEMBL3969173 0.99 TTK (0.40) MAPK1L3MBTL1TTKKDRCDK1
SCHEMBL3970782 0.92 PLK4 (0.41) TTKKDRJAK1AXLMERTK
SCHEMBL4073485 0.91 TTK (0.47) TTKKDRAXLJAK2JAK3
SCHEMBL3975392 0.89 PDPK1 (0.43) KDRCDK1JAK1JAK2JAK3
SCHEMBL13883520 0.89 LRRK2 (0.41) TTKKDRJAK1AXLMERTK
SCHEMBL3975880 0.86 LRRK2 (0.39) TTKKDRJAK1AXLMERTK
SCHEMBL3975882 0.86 AXL (0.35) TTKKDRJAK1AXLMERTK
SCHEMBL13883571 0.84 SRC (0.46) KDRJAK1AXLJAK2JAK3
SCHEMBL13883586 0.83 CYP11B1 (0.42) TTKJAK1

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