SCHEMBL3928126

SCHEMBL3928126

COc1cc(-c2cnc(N)c(-c3nc4ccccc4n3C)n2)ccc1OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.47
HRH3 Q9Y5N1 1/20 0.44
LTA4H P09960 1/20 0.44
MAP3K11 Q16584 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BACE1 P56817 1/20 0.43

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 0.85 MAP3K11 (0.50) MAP3K11ADORA2AKDM4ERECQLHSD17B10
SCHEMBL4006573 0.82 ATR (0.59)
SCHEMBL3924773 0.82 EGFR (0.48) HRH3KDM4ERECQLHSD17B10
SCHEMBL4010236 0.81 JAK2 (0.51) MAP3K11KDM4ERECQLHSD17B10
SCHEMBL4139890 0.78 KDM4E (0.50) ADORA2AKDM4ERECQLHSD17B10
SCHEMBL4012928 0.77 ATR (0.54) MCHR1MAP3K11ADORA2AADORA1
SCHEMBL3927916 0.76 ATR (0.48) MCHR1MAP3K11ADORA2AADORA1
SCHEMBL4011105 0.76 MCHR1 (0.52) MCHR1HRH3LTA4HMAP3K11ADORA2A
SCHEMBL220877 0.76 NOS3 (0.61) MCHR1HRH3LTA4HADORA2AADORA1
SCHEMBL4297778 0.76 ATR (0.58) MAP3K11ADORA2A

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