SCHEMBL2932358

SCHEMBL2932358

COc1cc(C(=O)NC2CN(C(=O)O)C2)ccc1Nc1cncc(-c2cc3cc(F)ccc3[nH]2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
PTK2 Q05397 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
LRRK2 Q5S007 3/20 0.37
MLLT1 Q03111 1/20 0.37
BRD4 O60885 1/20 0.37
BRDT Q58F21 1/20 0.37
USP30 Q70CQ3 1/20 0.36
PIM3 Q86V86 1/20 0.36
BRAF P15056 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 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
SCHEMBL4244323 0.91 PTK2 (0.39) IGF1RCCNA2CDK2TTKAURKA
SCHEMBL2935096 0.91 ADORA2A (0.38) IGF1RCCNA2CDK2TTKAURKA
SCHEMBL2930667 0.90 TTK (0.41) CCNA2CDK2TTKLRRK2
SCHEMBL2927992 0.89 ALDH1A1 (0.40) IGF1RCCNA2CDK2TTKAURKA
SCHEMBL2928408 0.87 PIM3 (0.46) CCNA2CDK2TTKAURKALRRK2
Trifluoroacetic Acid SCHEMBL2928643 0.87 PTK2 (0.39) CCNA2CDK2TTKAURKAAURKB
SCHEMBL13515312 0.87 KDR (0.46) AURKAAURKBPTK2ALDH1A1HPGD
SCHEMBL2936399 0.86 CCNA2 (0.36) IGF1RCCNA2CDK2TTKAURKA
SCHEMBL13515303 0.85 TTK (0.39) CCNA2CDK2TTKLRRK2
SCHEMBL14269675 0.84 TTK (0.43) CCNA2CDK2TTKLRRK2BRAF

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-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed