SCHEMBL4008973

SCHEMBL4008973

COc1cc(-c2cncc(-c3nc4cc(F)ccc4[nH]3)n2)ccc1OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.47
ADORA1 P30542 1/20 0.47
MCHR1 Q99705 4/20 0.46
MAP3K11 Q16584 3/20 0.44
ACHE P22303 5/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL4009811 0.87 MCHR1 (0.49) ADORA2AADORA1MCHR1MAP3K11
SCHEMBL3927916 0.76 ATR (0.48) ADORA2AADORA1MCHR1MAP3K11
SCHEMBL4006573 0.76 ATR (0.59) ACHE
SCHEMBL4009857 0.75 MCHR1 (0.51) ADORA2AADORA1MCHR1MAP3K11ACHE
SCHEMBL4004985 0.75 ATR (0.47) ADORA2AADORA1MCHR1MAP3K11
SCHEMBL4008321 0.74 ATR (0.55) ADORA2AADORA1MCHR1MAP3K11
SCHEMBL4012928 0.72 ATR (0.54) ADORA2AADORA1MCHR1MAP3K11
SCHEMBL30424886 0.72 AMY1A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9025017 0.70 ACHE (0.59) ADORA2AACHETLR8TLR7
SCHEMBL14767414 0.70 MCHR1 (0.56) ADORA2AADORA1MCHR1HRH3

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 1 patent. 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