SCHEMBL6640529

SCHEMBL6640529

Clc1ncc(Br)c(Nc2ccc3c(c2)CCC3)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.56
▸ IGF1R P08069 2/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ STK17B O94768 2/20 0.46
▸ STK17A Q9UEE5 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ LCK P06239 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ BPTF Q12830 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL4496644 0.84 EGFR (0.50) EGFRMEN1KMT2ASTK17BSTK17A
SCHEMBL4509782 0.79 PIN1 (0.62) EGFRMEN1KMT2ASTK17BSTK17A
SCHEMBL3447875 0.78 EGFR (0.56) EGFRIGF1RMEN1KMT2ASTK17B
SCHEMBL4502835 0.75 POLA1 (0.46) EGFRIGF1RSTK17BSTK17ASMN1; SMN2
SCHEMBL28516935 0.74 BTK (0.50) MEN1KMT2A
SCHEMBL6675253 0.74 MEN1 (0.62) EGFRIGF1RMEN1KMT2ASTK17B
SCHEMBL6211352 0.74 MEN1 (0.66) EGFRIGF1RMEN1KMT2ASTK17B
SCHEMBL4175837 0.73 SYK (0.51) EGFRIGF1RMEN1KMT2AMAPT
SCHEMBL5396674 0.73 SYK (0.45) EGFRMEN1KMT2ASTK17BSTK17A
SCHEMBL1774193 0.73 IGF1R (0.68) EGFRIGF1RMEN1KMT2A

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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