SCHEMBL27768273

SCHEMBL27768273

CCNC(=O)Nc1cc(-c2nnc(C(=O)O)n2C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.45
MAPK1 P28482 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
BUB1 O43683 2/20 0.42
ABL1 P00519 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
SCHEMBL3189576 0.88 PIK3C3 (0.43) PIK3C3MAPK1JAK2JAK1TYK2
SCHEMBL1553496 0.76 CNR1 (0.60) JAK2JAK1TYK2BUB1ABL1
SCHEMBL1552978 0.76 JAK2 (0.48) PIK3C3MAPK1JAK2JAK1TYK2
SCHEMBL1553258 0.74 PIK3CA (0.60) MAPK1JAK2JAK1TYK2
SCHEMBL1505591 0.74 NR3C2 (0.56) MAPK1JAK2JAK1TYK2BUB1
SCHEMBL20909667 0.73 SMN1; SMN2 (0.68) JAK2JAK1TYK2
SCHEMBL1505534 0.72 JAK2 (0.61) JAK2JAK1TYK2
SCHEMBL31420515 0.72 JAK2 (0.61) JAK2JAK1TYK2
SCHEMBL1553547 0.70 ABL1 (0.58) ABL1
SCHEMBL1553602 0.70 NPC1 (0.53) PIK3C3MAPK1JAK2JAK1TYK2

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
CN-101627038-A Antibacterial polycyclic urea compounds ASTRAZENECA AB 2010-01-13 CN claimed
CN-101627038-A Antibacterial polycyclic urea compounds ASTRAZENECA AB 2010-01-13 CN disclosed