SCHEMBL2226024

SCHEMBL2226024

CN1CCN(c2ncc(-c3cccc(Nc4cccc(C(F)(F)F)c4)n3)o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSC P53634 8/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
IDH2 P48735 2/20 0.47
FYN P06241 1/20 0.47
EGFR P00533 1/20 0.45
AURKA O14965 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL14673902 0.86 JAK2 (0.52) SMN1; SMN2EGFRLMNAMAPTBRD4
SCHEMBL14680969 0.85 TRPV1 (0.42) USP2SMN1; SMN2CTSCCYP1A2CYP3A4
SCHEMBL14673741 0.83 IDH2 (0.43) CTSCIDH2AURKAMAPT
SCHEMBL2364512 0.81 WEE1 (0.42) FYNEGFRAURKABRD4
SCHEMBL27882246 0.80 IDH2 (0.40) CTSCIDH2EGFRAURKAMAPT
SCHEMBL2226424 0.78 AURKA (0.51) SMN1; SMN2CTSCIDH2AURKAMAPT
SCHEMBL14673616 0.77 KARS1 (0.52) EGFR
SCHEMBL13825903 0.77 KCNH2 (0.43) SMN1; SMN2EGFRMAPT
SCHEMBL14673765 0.76 ABL1 (0.39) CTSCCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16519341 0.76 FLT3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523952-B1 OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2015-03-04 EP claimed
CN-102812022-A Thiazole and oxazole kinase inhibitors AB SCIENCE 2012-12-05 CN claimed
EP-2523952-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB Science (FR) 2012-11-21 EP claimed
WO-2011086085-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2011-07-21 WO claimed
EP-2523952-B1 OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2015-03-04 EP disclosed
EP-2523952-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB Science (FR) 2012-11-21 EP disclosed
WO-2011086085-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2011-07-21 WO disclosed