SCHEMBL14460656

SCHEMBL14460656

COCc1ccc(C(=O)Nc2ncc(Sc3cc(C(=O)N4CCN(C(C)=O)CC4)c(OC)cc3C)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 1.00
BTK Q06187 9/20 0.77
TXK P42681 8/20 0.77
PRKD3 O94806 1/20 0.77
PRKCG P05129 1/20 0.77
PRKCB P05771 1/20 0.77
INSR P06213 1/20 0.77
LCK P06239 1/20 0.77
FYN P06241 1/20 0.77
PRKCA P17252 1/20 0.77
PRKCH P24723 1/20 0.77
CDK2 P24941 1/20 0.77
LTK P29376 1/20 0.77
PRKCI P41743 1/20 0.77
TEC P42680 1/20 0.77
GSK3B P49841 1/20 0.77
IL2 P60568 1/20 0.77
PRKCE Q02156 1/20 0.77
PRKCQ Q04759 1/20 0.77
PRKCZ Q05513 1/20 0.77

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
SCHEMBL14460659 0.93 ITK (0.86) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460658 0.93 ITK (0.86) ITKBTKTXKPRKD3PRKCG
SCHEMBL5658119 0.92 ITK (0.86) ITKBTKTXKPRKD3PRKCG
SCHEMBL24146473 0.91 ITK (0.87) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460660 0.90 ITK (1.00) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460662 0.90 ITK (0.87) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460649 0.89 ITK (0.83) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460640 0.89 ITK (1.00) ITKBTKTXKPRKD3PRKCG
SCHEMBL24146293 0.89 ITK (0.83) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460568 0.89 ITK (0.87) ITKBTKTXKPRKD3PRKCG

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
US-7241781-B2 2-(pyridinylamino)thiazolylthio(optional methyl)-benzamides or -benzenealkanamides; may also contain antiinflammatory agents, antiproliferative agents, anticancer agents or anticytotoxic agents. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7241781-B2 2-(pyridinylamino)thiazolylthio(optional methyl)-benzamides or -benzenealkanamides; may also contain antiinflammatory agents, antiproliferative agents, anticancer agents or anticytotoxic agents. BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed