SCHEMBL3971650

SCHEMBL3971650

Cc1nccn1Cc1ccc(Nc2nc(-c3ccc(-c4cccc(OC(C)C)c4)s3)c3cc[nH]c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.39
JAK2 O60674 5/20 0.36
WDR5 P61964 1/20 0.35
JAK1 P23458 2/20 0.34
PDPK1 O15530 1/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
ROCK1 Q13464 3/20 0.33
ROCK2 O75116 2/20 0.33
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 1/20 0.33
EGFR P00533 1/20 0.32
AGTR2 P50052 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
MAP4K4 O95819 1/20 0.32

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 0.88 AXL (0.38) TNIKJAK2JAK1PDPK1AXL
SCHEMBL13883626 0.85 IKBKB (0.41) TNIKJAK2JAK1PDPK1ROCK2
SCHEMBL4407227 0.83 JAK1 (0.38) TNIKJAK2JAK1HDAC1AXL
SCHEMBL13883576 0.82 JAK2 (0.40) TNIKJAK2JAK1ROCK1CHEK1
SCHEMBL13883627 0.82 JAK2 (0.37) TNIKJAK2JAK1HDAC1HDAC6
SCHEMBL4077575 0.81 JAK2 (0.43) JAK2JAK1ROCK1FLT3CHEK1
SCHEMBL4085715 0.81 JAK1 (0.39) TNIKJAK2JAK1HDAC1HDAC6
SCHEMBL4255795 0.80 JAK1 (0.38) TNIKJAK2JAK1HDAC1HDAC6
SCHEMBL13883557 0.79 IKBKB (0.40) TNIKJAK2JAK1PTK2
SCHEMBL3974777 0.79 JAK2 (0.43) JAK2PDPK1HDAC1HDAC6AXL

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