SCHEMBL6642447

SCHEMBL6642447

Fc1cc(OCC2CO2)ccc1Nc1ncc(Br)c(Nc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 7/20 0.50
▸ CDK19 Q9BWU1 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ CDK2 P24941 5/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ ZAP70 P43403 1/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ BTK Q06187 2/20 0.43
▸ CDK1 P06493 4/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ SYK P43405 2/20 0.42
▸ NTRK2 Q16620 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ NTRK1 P04629 1/20 0.42

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
SCHEMBL6642260 0.86 IGF1R (0.62) IGF1RCDK19ALKCDK2CDK4
SCHEMBL6643538 0.76 IGF1R (0.63) IGF1RCDK19ALKCDK2ZAP70
SCHEMBL4459525 0.70 IGF1R (1.00) IGF1RCDK19ALKCDK2CDK4
SCHEMBL3276745 0.69 IGF1R (0.58) IGF1RCDK19ALKCDK2CDK4
SCHEMBL13033318 0.69 ALDH1A1 (0.57) FGFR1SRC
SCHEMBL11607635 0.68 TDP1 (0.71) FGFR1SRC
SCHEMBL13648334 0.67 EGFR (0.45) IGF1RALKCDK2GSK3BBTK
SCHEMBL8262888 0.67 ALDH1A1 (0.68) FGFR1SRC
SCHEMBL29847386 0.67 ALDH1A1 (0.57) FGFR1SRC
SCHEMBL16057958 0.67 ALDH1A1 (0.57) FGFR1SRC

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-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 — — EP disclosed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 — — US disclosed
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 — — EP disclosed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 — — WO disclosed
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