SCHEMBL6840403

SCHEMBL6840403

CC(C)N1CC(=O)N(C)c2cnc(-c3ccncc3N)nc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 1/20 0.38
RPS6KA3 P51812 2/20 0.33
PLK1 P53350 2/20 0.32
PLK2 Q9NYY3 2/20 0.32
PLK3 Q9H4B4 1/20 0.32
USP1 O94782 5/20 0.31
BMPR1B O00238 1/20 0.30
BMPR1A P36894 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL6844422 0.86 STK4 (0.36) STK4RPS6KA3PLK1PLK2PLK3
SCHEMBL6840522 0.82 USP1 (0.35) STK4RPS6KA3USP1TGFBR1
SCHEMBL6840386 0.80 STK4 (0.34) STK4RPS6KA3PLK1
SCHEMBL6840399 0.80 PLK1 (0.42) STK4PLK1PLK3
SCHEMBL6844502 0.80 STK4 (0.37) STK4RPS6KA3PLK1PLK2PLK3
SCHEMBL6844424 0.80 CYP11B2 (0.35) STK4RPS6KA3PLK1PLK2PLK3
SCHEMBL7742264 0.78 KCNA5 (0.34) STK4RPS6KA3
SCHEMBL16405182 0.77 BRD4 (0.43) STK4RPS6KA3PLK1PLK2PLK3
SCHEMBL2030290 0.75 PLK1 (0.57) STK4PLK1PLK2PLK3
SCHEMBL2030292 0.75 PLK1 (0.57) STK4PLK1PLK2PLK3

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
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed