SCHEMBL4241669

SCHEMBL4241669

O=C(O)c1ccccc1Nc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPK10 P53779 1/20 0.63
GFER P55789 1/20 0.63
AURKA O14965 5/20 0.63
KDM4E B2RXH2 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK8 P45983 10/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
TAS2R14 Q9NYV8 1/20 0.56
CDC7 O00311 1/20 0.55
FABP4 P15090 1/20 0.54
AURKB Q96GD4 2/20 0.53
GRIK1 P39086 1/20 0.52

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
SCHEMBL29395312 1.00 MEN1 (0.63) MEN1KMT2AMAPK10GFERAURKA
SCHEMBL11665185 0.86 MEN1 (0.58) MEN1KMT2AMAPK10GFERAURKA
SCHEMBL10837028 0.85 JAK2 (0.63) MEN1KMT2AMAPK10GFERAURKA
SCHEMBL15286528 0.84 KDM4C (0.56) MEN1KMT2AMAPK10GFERKDM4E
SCHEMBL11471869 0.83 GRIK1 (0.53) MEN1KMT2AMAPK10GFERAURKA
SCHEMBL11482055 0.83 AKR1C3 (0.51) MEN1KMT2AMAPK10GFERAURKA
SCHEMBL4191649 0.82 AURKA (0.71) AURKAKDM4EL3MBTL1MAPK8ALDH1A1
SCHEMBL29394920 0.82 KDM4E (0.60) MEN1KMT2AMAPK10GFERAURKA
Water SCHEMBL11463957 0.82 AKR1C3 (0.50) MEN1KMT2AMAPK10GFERAURKA
SCHEMBL11465530 0.79 JAK2 (0.49) MEN1KMT2AMAPK10GFERAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101302229-A Tetraheteropoly rare earth organic complex and preparation thereof UNIV BEIJING CHEMICAL (CN) 2008-11-12 CN claimed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
CN-101302229-A Tetraheteropoly rare earth organic complex and preparation thereof UNIV BEIJING CHEMICAL (CN) 2008-11-12 CN disclosed
EP-0114734-B1 PYRIDINYLMETHYLAMINO-ARYLIC ACIDS THE UPJOHN COMPANY (US) 1987-05-13 EP disclosed
EP-0098951-A3 AMINOBENZAMIDE DERIVATIVES AND PREPARATION THEREOF STERLING DRUG INC. (US) 1985-01-23 EP disclosed
US-4486593-A 2-,3-, or 4-Pyridinylmethylamino arylic acids as thromboxane A2 synthetase and 5-lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1984-12-04 US disclosed
EP-0114734-A2 Pyridinylmethylamino-arylic acids THE UPJOHN COMPANY (US) 1984-08-01 EP disclosed
EP-0100158-A2 (3-pyridinyl)heteroalkarylalkanols, alkanoic acids and esters THE UPJOHN COMPANY (US) 1984-02-08 EP disclosed
US-4241068-A ANTIALLERGENS BOEHRINGER INGELHEIM GMBH (DE) 1980-12-23 US disclosed