SCHEMBL4210107

SCHEMBL4210107

CNc1cc(-n2nc(C)cc2Nc2cc(N(CN(C)C)C(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.41
LYN P07948 17/20 0.41
SRC P12931 17/20 0.41
KDR P35968 17/20 0.41
INSR P06213 15/20 0.41
HCK P08631 14/20 0.41
BRAF P15056 1/20 0.36
MAPT P10636 1/20 0.36
ADCY8 P40145 1/20 0.36
ADCY1 Q08828 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
SCHEMBL3577332 0.81 LCK (0.56) LCKLYNSRCKDRINSR
SCHEMBL3593435 0.78 POLB (0.59) LCKLYNSRCKDRINSR
SCHEMBL3587207 0.78 KDR (0.56) LCKLYNSRCKDRINSR
SCHEMBL3587554 0.76 POLB (0.45) LCKLYNSRCKDRINSR
SCHEMBL3594090 0.76 LCK (0.50) LCKLYNSRCKDRINSR
SCHEMBL3589488 0.75 BRAF (0.47) LCKLYNSRCKDRINSR
SCHEMBL3598038 0.75 CSF1R (0.48) LCKLYNSRCKDRINSR
SCHEMBL3588148 0.75 BRAF (0.48) LCKLYNSRCKDRINSR
SCHEMBL14219021 0.75 KDR (0.49) LCKLYNSRCKDRINSR
SCHEMBL3588537 0.74 INSR (0.49) LCKLYNSRCKDRINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed