SCHEMBL3723739

SCHEMBL3723739

CNc1cc(-c2cncc(-c3ccc(C(=O)N4CCN(C(C)(C)C)CC4)cc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.50
BCR P11274 6/20 0.50
SLC6A7 Q99884 4/20 0.45
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TGFBR1 P36897 2/20 0.41
HPGD P15428 1/20 0.41
RIPK1 Q13546 1/20 0.40
TSHR P16473 2/20 0.40
FASN P49327 1/20 0.40
TACR3 P29371 1/20 0.40
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4186173 0.91 ABL1 (0.48) ABL1BCRSLC6A7KCNH2
SCHEMBL3722384 0.91 ABL1 (0.48) ABL1BCRSLC6A7KCNH2ALDH1A1
SCHEMBL3721461 0.90 RIPK1 (0.48) ABL1BCRSLC6A7KCNH2ALDH1A1
SCHEMBL4177025 0.89 ABL1 (0.46) ABL1BCRSLC6A7TGFBR1
SCHEMBL3663458 0.88 TGFBR1 (0.52) ABL1BCRSLC6A7TGFBR1HPGD
SCHEMBL3718285 0.88 CCNC (0.53) L3MBTL1RIPK1CCNCCDK8KDM4E
SCHEMBL4177554 0.86 ABL1 (0.51) ABL1BCRSLC6A7KCNH2HPGD
SCHEMBL3727963 0.84 ABL1 (0.50) ABL1BCRSLC6A7KCNH2L3MBTL1
SCHEMBL3723755 0.82 L3MBTL1 (0.53) ABL1BCRSLC6A7KCNH2ALDH1A1
SCHEMBL3726132 0.82 ABL1 (0.48) ABL1BCRSLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed