SCHEMBL5322308

SCHEMBL5322308

Cc1ccc(S(=O)(=O)n2cc(C(=O)c3cccc(NC(N)=O)c3)c3cc(-c4cccnc4)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
BCR P11274 1/20 0.40
PDGFRA P16234 1/20 0.40
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
BLK P51451 1/20 0.38
BTK Q06187 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
ATR Q13535 1/20 0.37
KDR P35968 1/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK10 P53779 1/20 0.36
ELANE P08246 1/20 0.36
NEK1 Q96PY6 1/20 0.36
CKS1B P61024 1/20 0.36

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
SCHEMBL416107 0.88 PTPN11 (0.43) PTPN11CCNE2CCNE1CDK2GSK3B
SCHEMBL415602 0.87 CDK8 (0.41) PTPN11ABL1PDGFRBBCRPDGFRA
SCHEMBL878761 0.85 PTPN11 (0.43) PTPN11AAK1ALDH1A1MAPK10ELANE
SCHEMBL856246 0.84 PTPN11 (0.42) PTPN11ABL1BCRALDH1A1ELANE
SCHEMBL5322311 0.77 PTPN11 (0.42) PTPN11BTKDYRK1AALDH1A1CKS1B
SCHEMBL856728 0.75 NAMPT (0.41) KDRNAMPT
SCHEMBL856203 0.74 ALK (0.40) PTPN11DYRK1A
SCHEMBL17939505 0.72 BRD4 (0.52) PTPN11BTK
SCHEMBL10293196 0.72 ALK (0.39) PTPN11ALDH1A1CKS1BSKP2
SCHEMBL856210 0.70 CYP1A2 (0.40) PTPN11ABL1BCR

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
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed