SCHEMBL4075295

SCHEMBL4075295

Cc1cc(-c2nc(Nc3ccc(-n4ccnc4)cc3)nc3[nH]ccc23)sc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.38
JAK1 P23458 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
IGF1R P08069 2/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 1/20 0.35
TNIK Q9UKE5 3/20 0.34
ADH5 P11766 1/20 0.33
ACVR1 Q04771 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL13883565 0.89 TNIK (0.35) TTKJAK1PDE3BPDE3AIGF1R
SCHEMBL3973909 0.82 TTK (0.58) TTKJAK1JAK2JAK3
SCHEMBL4073923 0.81 TTK (0.40) TTKJAK1PDE3BPDE3AIGF1R
SCHEMBL13883496 0.80 JAK2 (0.38) TTKJAK1JAK2JAK3TNIK
SCHEMBL13883701 0.79 TTK (0.39) TTKJAK1JAK2JAK3TNIK
SCHEMBL13883515 0.77 TTK (0.45) TTKJAK2JAK3
SCHEMBL4085413 0.76 TTK (0.38) TTKJAK1JAK2HDAC1HDAC6
SCHEMBL13883716 0.76 AXL (0.45) JAK1JAK2JAK3HDAC1HDAC6
SCHEMBL3973968 0.72 KDR (0.43) TTKJAK1JAK2JAK3ACVR1
SCHEMBL13883586 0.68 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