SCHEMBL4082415

SCHEMBL4082415

Cc1csc(-c2nc(Nc3ccc(OCCN4CCOCC4)cc3)nc3[nH]ccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.46
KDR P35968 2/20 0.45
CDK1 P06493 1/20 0.45
SRC P12931 2/20 0.45
JAK1 P23458 1/20 0.45
LRRK2 Q5S007 2/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
JAK3 P52333 3/20 0.41
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
JAK2 O60674 2/20 0.41
PTK2 Q05397 2/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
CSF1R P07333 1/20 0.41

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
SCHEMBL13883571 0.93 SRC (0.46) KDRSRCJAK1JAK3JAK2
SCHEMBL3971227 0.92 TTK (0.44) TTKKDRSRCLRRK2EGFR
SCHEMBL4075270 0.87 TTK (0.48) TTKKDRCDK1LRRK2JAK3
SCHEMBL4073485 0.85 TTK (0.47) TTKKDRLRRK2JAK3AURKA
SCHEMBL3970118 0.84 SRC (0.46) SRCJAK3JAK2PRKCQ
SCHEMBL4078306 0.83 TTK (0.62) TTKKDRCDK1LRRK2MAPT
SCHEMBL3967981 0.82 PTK2 (0.42) KDRCDK1SRCJAK1ACHE
SCHEMBL3974734 0.80 KDR (0.46) TTKKDRCDK1LRRK2MAPT
SCHEMBL13883484 0.80 TTK (0.47) TTKKDRJAK1LRRK2MAPT
SCHEMBL3969959 0.80 JAK3 (0.38) CDK1JAK1JAK3AURKBJAK2

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