SCHEMBL27768574

SCHEMBL27768574

CCNC(=O)Nc1ccc(-c2nc(C(=O)N(C)C)cs2)cn1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.42
ABL1 P00519 2/20 0.42
AURKB Q96GD4 2/20 0.42
PIM1 P11309 1/20 0.42
PIK3CA P42336 2/20 0.41
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
YES1 P07947 1/20 0.41
HIPK1 Q86Z02 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
SCHEMBL1552987 0.88 ALDH1A1 (0.50)
SCHEMBL1553949 0.84 RAB9A (0.53) MAPK1ABL1AURKBPIM1
SCHEMBL1552950 0.80 MAPK1 (0.44) MAPK1ABL1AURKBPIM1PIK3CA
SCHEMBL1553754 0.78 MAPK1 (0.42) MAPK1ABL1AURKBPIM1PIK3CA
SCHEMBL12708255 0.78 ABL1 (0.42) MAPK1ABL1AURKBPIM1
SCHEMBL1553109 0.78 MAPK1 (0.42) MAPK1ABL1AURKBPIM1PIK3CA
SCHEMBL3211458 0.78 ABL1 (0.42) MAPK1ABL1AURKBPIM1
SCHEMBL12707834 0.76 ABL1 (0.41) MAPK1ABL1AURKBPIM1
SCHEMBL12708361 0.75 ABL1 (0.40) MAPK1ABL1AURKBPIM1
SCHEMBL1553254 0.75 ABL1 (0.42) MAPK1ABL1AURKBPIM1

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