SCHEMBL4010236

SCHEMBL4010236

COc1cc(-c2cnc(N)c(-c3nc4ccccc4n3CCCN3CCOCC3)n2)ccc1OCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
JAK3 P52333 1/20 0.51
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
RECQL P46063 1/20 0.46
MAP3K11 Q16584 2/20 0.46
QPCT Q16769 3/20 0.45
GSK3B P49841 2/20 0.45
EGFR P00533 4/20 0.45
QPCTL Q9NXS2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
AXL P30530 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 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
SCHEMBL4158549 0.94 MAP3K11 (0.50) JAK2JAK1JAK3TP53GAA
SCHEMBL3924773 0.92 EGFR (0.48) JAK2JAK1JAK3TP53GAA
SCHEMBL4139890 0.81 KDM4E (0.50) TP53GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL3928126 0.81 MCHR1 (0.47) KDM4EHSD17B10RECQLMAP3K11
SCHEMBL4297778 0.78 ATR (0.58) JAK2JAK1JAK3MAP3K11EGFR
SCHEMBL2799644 0.75 JAK2 (0.64) JAK2JAK1JAK3KDM4EMAP3K11
SCHEMBL2801204 0.71 JAK2 (0.89) JAK2JAK1JAK3MAP3K11EGFR
SCHEMBL4006573 0.70 ATR (0.59) EGFRATM
SCHEMBL2801860 0.70 JAK2 (0.59) JAK2JAK1JAK3MAP3K11ABCB1
SCHEMBL29056597 0.69 TP53 (0.65) TP53SMN1; SMN2KDM4EHSD17B10ALDH1A1

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
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO claimed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO disclosed