SCHEMBL6209488

SCHEMBL6209488

Brc1cnc(Nc2ccc3ncccc3c2)nc1NCc1ccccn1.Brc1cnc(Nc2cccc3cc[nH]c23)nc1NCCc1ccccn1.Brc1cnc(Nc2cccc3cc[nH]c23)nc1NCc1ccccn1.Cn1ccc2cc(Nc3ncc(Br)c(NCc4ccccn4)n3)ccc21.Fc1cnc(Nc2ccc3ncccc3c2)nc1NCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 7/20 0.51
PTK2B Q14289 5/20 0.51
EGFR P00533 4/20 0.39
IGF1R P08069 4/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
CDK1 P06493 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
GRM4 Q14833 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL6212366 0.80 PTK2 (0.63) PTK2PTK2BEGFRIGF1RFGFR1
SCHEMBL6216143 0.79 PTK2 (0.75) PTK2PTK2BEGFRIGF1RFGFR1
SCHEMBL6210750 0.77 IGF1R (0.49) PTK2PTK2BIGF1RFGFR1KDR
SCHEMBL6211846 0.76 EGFR (0.53) PTK2PTK2BEGFRIGF1RFGFR1
SCHEMBL6212168 0.76 PTK2 (0.52) PTK2PTK2BIGF1RFGFR1KDR
SCHEMBL6214553 0.75 PTK2 (0.62) PTK2PTK2BEGFRIGF1RFGFR1
SCHEMBL6210503 0.75 PTK2 (0.54) PTK2PTK2BEGFRIGF1RFGFR1
SCHEMBL6213407 0.73 PTK2 (0.45) PTK2PTK2BEGFRIGF1RCDK1
SCHEMBL6209954 0.71 IGF1R (0.51) PTK2PTK2BEGFRIGF1RFGFR1
SCHEMBL6211636 0.71 PTK2 (0.44) PTK2PTK2BEGFRIGF1RFGFR1

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-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed