SCHEMBL164750

SCHEMBL164750

CCONC(=O)c1ccn(-c2ccc(F)cc2C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
KMT2A Q03164 2/20 0.38
DHODH Q02127 1/20 0.37
ALOX15 P16050 2/20 0.37
AURKA O14965 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
MET P08581 1/20 0.37
SRC P12931 1/20 0.37
FER P16591 1/20 0.37
AXL P30530 1/20 0.37
CDK8 P49336 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
MAP2K5 Q13163 1/20 0.37
AURKB Q96GD4 1/20 0.37
RXRA P19793 3/20 0.35
GRIN1 Q05586 3/20 0.35

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
SCHEMBL30030622 0.83 KDM4E (0.44) KMT2ARXRAGRIN1GRIN2BMAPT
SCHEMBL23749443 0.83 KDM4E (0.44) KMT2ARXRAGRIN1GRIN2BMAPT
SCHEMBL168303 0.82 L3MBTL1 (0.49) KMT2AACKR3MAPTNPC1RAB9A
SCHEMBL168701 0.80 SCN9A (0.40) HTR7RXRAGRIN1GRIN2BNR3C2
SCHEMBL30029894 0.77 F2 (0.36) HTR7RXRAGRIN1GRIN2BACKR3
SCHEMBL23749312 0.77 F2 (0.36) HTR7RXRAGRIN1GRIN2BACKR3
SCHEMBL15412955 0.72 RXRA (0.43) KMT2AAURKAABL1LCKMET
SCHEMBL20249708 0.70 CRHR1 (0.40) HTR7KMT2ARXRAGRIN1GRIN2B
SCHEMBL16201981 0.69 MAPT (0.53) HTR7RXRAGRIN1GRIN2BMAPT
SCHEMBL164749 0.67 AURKA (0.51) KMT2AAURKAABL1LCKMET

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-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed