SCHEMBL5202947

SCHEMBL5202947

CC(C)C(C)OC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPSE Q9Y251 4/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
COMT P21964 1/20 0.47
POLB P06746 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL5240434 0.85 KMT2A (0.47) MEN1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL2974233 0.84 KMT2A (0.41) MEN1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL5189138 0.83 SMN1; SMN2 (0.53) MEN1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL2242067 0.82 NR2E3 (0.60) MEN1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL5190823 0.82 KDM4E (0.53) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5189432 0.82 DGAT1 (0.59) MEN1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL5188247 0.81 HPSE (0.58) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5207426 0.79 KDM4E (0.53) MEN1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL5190191 0.78 FAAH (0.59) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5191519 0.78 FAAH (0.56) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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
EP-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed