SCHEMBL3393213

SCHEMBL3393213

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)nc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 4/20 0.38
MAPK14 Q16539 9/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
CCNT1 O60563 2/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CDK9 P50750 2/20 0.34
CDK6 Q00534 2/20 0.34
CDK11A Q9UQ88 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
DDR2 Q16832 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTK2 Q05397 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
SCHEMBL3392100 0.93 PTK2B (0.39) PTK2BMAPK14LMNATSHRALOX12
SCHEMBL3393224 0.93 GBA1 (0.38) PTK2BMAPK14LMNATSHRALOX12
SCHEMBL3174404 0.92 MAPK14 (0.38) PTK2BMAPK14LMNATSHRMAPK13
SCHEMBL3392554 0.91 PTK2B (0.37) PTK2BMAPK14TSHRKDM4ESMN1; SMN2
SCHEMBL3394251 0.90 PTK2B (0.39) PTK2BMAPK14LMNATSHRKDM4E
SCHEMBL3394297 0.90 PTK2B (0.40) PTK2BMAPK14LMNAMAPK13MAPK12
SCHEMBL3392562 0.88 KMT2A (0.36) PTK2BMAPK14TSHRMAPK13MAPK12
SCHEMBL3180430 0.88 CDK8 (0.35) PTK2BMAPK14MAPK13MAPK12MAPK11
SCHEMBL3393200 0.88 PTK2B (0.37) PTK2BMAPK14LMNAMAPK13MAPK12
SCHEMBL3422290 0.87 MAPK14 (0.37) PTK2BMAPK14MAPK13MAPK12MAPK11

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-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed