SCHEMBL1780157

SCHEMBL1780157

COc1ccc2c(c1)cc(-c1cc3c(C(=O)NC(C)(C)CO)ccnc3[nH]1)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.45
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS2 P35354 1/20 0.35
LCK P06239 2/20 0.35
JAK2 O60674 1/20 0.35
IGF1R P08069 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL1779027 0.86 L3MBTL1 (0.44) L3MBTL1CCNT1CDK9KDM4EALDH1A1
SCHEMBL1779368 0.84 L3MBTL1 (0.51) L3MBTL1CCNT1CDK9KDM4EALDH1A1
SCHEMBL1777905 0.84 KDM4E (0.48) L3MBTL1CCNT1CDK9KDM4EALDH1A1
SCHEMBL1778255 0.84 KDR (0.47) L3MBTL1CCNT1CDK9KDM4EALDH1A1
SCHEMBL1778752 0.83 ALDH1A1 (0.46) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1777922 0.83 SYK (0.59) SYKCNR1CNR2CCNT1CDK9
SCHEMBL1778234 0.80 SYK (0.47) SYKCNR1CNR2CCNT1CDK9
SCHEMBL1779704 0.76 GSK3A (0.43) L3MBTL1CCNT1CDK9KDM4EALDH1A1
SCHEMBL1779605 0.74 PIM1 (0.42) L3MBTL1CDK9KDM4EALDH1A1HPGD
SCHEMBL1777680 0.71 RIPK1 (0.60) L3MBTL1KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed