SCHEMBL4034008

SCHEMBL4034008

Cc1cc(C)cc(Sc2c(OC(N)=O)[nH]c3cccnc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TGFBR1 P36897 7/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
JAK2 O60674 1/20 0.35
GRM4 Q14833 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
PDE5A O76074 1/20 0.34
TGFBR2 P37173 4/20 0.34
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 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
SCHEMBL4043268 0.91 PKN1 (0.36) TGFBR1PKN1PKN2JAK2GRM4
SCHEMBL4032967 0.90 SMN1; SMN2 (0.41) LMNATGFBR1PDE5AKMT2AGSK3B
SCHEMBL4035502 0.86 TUBB4A (0.39) LMNAJAK2PDE5ATUBB4ATUBB
SCHEMBL4036370 0.85 PARP1 (0.37) TGFBR1PKN1PKN2JAK2PDE5A
SCHEMBL4033192 0.85 PKN1 (0.38) PKN1PKN2JAK2PDE5ATUBB4A
SCHEMBL4035489 0.83 SLC6A4 (0.43) LMNATGFBR1TGFBR2KMT2APARP1
SCHEMBL4036538 0.83 JAK2 (0.48) LMNATGFBR1PKN1PKN2JAK2
SCHEMBL4033989 0.82 LMNA (0.39) LMNATGFBR1PKN1PKN2JAK2
SCHEMBL4033058 0.82 TYMS (0.37) TGFBR1PKN1PKN2JAK2TGFBR2
SCHEMBL4036827 0.82 KDM4E (0.43) TGFBR1GRM4TGFBR2TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed