SCHEMBL626702

SCHEMBL626702

Nc1ncc(-c2cn3nc(NCC4CCNCC4)sc3n2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 17/20 0.43
PIK3CA P42336 2/20 0.40
F2RL3 Q96RI0 1/20 0.38
MAP3K13 O43283 1/20 0.38
NTRK1 P04629 1/20 0.38
CSF1R P07333 1/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
MAP3K9 P80192 1/20 0.38
MAP3K10 Q02779 1/20 0.38
DMPK Q09013 1/20 0.38
EPHA7 Q15375 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
DLK1 P80370 1/20 0.37

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
SCHEMBL627611 0.89 MAP3K12 (0.43) MAP3K12PIK3CAF2RL3MAP3K13NTRK1
SCHEMBL625673 0.89 MAP3K12 (0.48) MAP3K12PIK3CAF2RL3DLK1
SCHEMBL625236 0.86 MAP3K12 (0.45) MAP3K12PIK3CADLK1
SCHEMBL626582 0.84 PIK3CA (0.42) MAP3K12PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL626701 0.84 MKNK1 (0.52) PIK3CAFLT3
SCHEMBL626289 0.83 PIK3CA (0.42) MAP3K12PIK3CAF2RL3
SCHEMBL624985 0.82 KDM4E (0.40) MAP3K12PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL626269 0.81 F2RL3 (0.44) MAP3K12PIK3CAF2RL3PIK3CDPIK3CB
SCHEMBL623883 0.80 F2RL3 (0.52) F2RL3FLT3
SCHEMBL12474086 0.79 PIK3CA (0.47) MAP3K12PIK3CAF2RL3PIK3CDPIK3CB

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
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed