SCHEMBL18752174

SCHEMBL18752174

Cn1nc(C(N)=O)c2c1-c1nc([S+](C)[O-])ncc1CC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.60
CDK2 P24941 20/20 0.60
CCNA1 P78396 18/20 0.60
AURKA O14965 11/20 0.60
PLK1 P53350 9/20 0.59
PLK3 Q9H4B4 5/20 0.59
PLK2 Q9NYY3 5/20 0.59
CDK4 P11802 3/20 0.59
CCND3 P30281 3/20 0.59
CDK6 Q00534 3/20 0.59
TTK P33981 2/20 0.59
CDK1 P06493 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNE1 P24864 1/20 0.55
MAPK1 P28482 1/20 0.55
GSK3B P49841 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55

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
SCHEMBL3503440 0.82 CCNA2 (0.65) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL16572387 0.82 CCNA2 (0.66) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3503045 0.81 CCNA2 (0.64) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL13852050 0.79 CCNA2 (0.74) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL4147700 0.79 CCNA2 (0.64) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940632 0.78 CCNA2 (0.61) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL4159100 0.78 CCNA2 (0.63) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940730 0.77 CCNA2 (0.62) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL11024245 0.76 CCNA2 (0.60) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL9940739 0.76 CCNA2 (0.64) CCNA2CDK2CCNA1AURKAPLK1

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
EP-2614065-B1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-04-19 EP disclosed