SCHEMBL3391076

SCHEMBL3391076

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.40
TP53 P04637 1/20 0.39
CACNA1B Q00975 3/20 0.38
NPY2R P49146 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PTK2B Q14289 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRC P12931 1/20 0.36
SYK P43405 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
SCHEMBL3394297 0.93 PTK2B (0.40) KMT2AKDM4EPTK2BSMN1; SMN2ALDH1A1
SCHEMBL3393200 0.93 PTK2B (0.37) NPY2RKMT2AMEN1PTK2BPOLB
SCHEMBL3392554 0.92 PTK2B (0.37) KMT2AMEN1KDM4EPTK2BPOLB
SCHEMBL3394251 0.91 PTK2B (0.39) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3390908 0.91 ALDH1A1 (0.38) NPY2RKMT2AABL1BCRPTK2B
SCHEMBL3389398 0.90 PTK2B (0.36) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3394286 0.89 LMNA (0.37) TP53KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3392512 0.89 PTK2B (0.36) TP53KMT2AMEN1CYP1A2CYP2C9
SCHEMBL3391110 0.89 GBA1 (0.41) NPY2R
SCHEMBL3174404 0.89 MAPK14 (0.38) PTK2BALDH1A1MAPK14

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