SCHEMBL28294705

SCHEMBL28294705

CCCCCCn1c(C(OCC)OCC)cc2cnc(Cl)nc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
FGFR1 P11362 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
CCNA1 P78396 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
ADORA2B P29275 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 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
SCHEMBL4200629 0.99 CCNB2 (0.32) CCNB2CCNE2CDK1FGFR1CDK4
SCHEMBL19336275 0.80 STK17B (0.47)
SCHEMBL30292479 0.77 DCTPP1 (0.40) CCNE2CCNE1CDK2
SCHEMBL4196176 0.77 ENPP2 (0.39) ENPP2HSP90B1PDE4B
SCHEMBL4200625 0.75 KDM4E (0.31)
SCHEMBL4201281 0.74 CCR9 (0.39) CCNB2CCNE2CDK1FGFR1CDK4
SCHEMBL20127004 0.74
SCHEMBL30661265 0.73 TSHR (0.31)
SCHEMBL19301812 0.73 STK17B (0.34)
SCHEMBL29651155 0.73 MAT2A (0.33) CDK4CCND1CCND2CCND3

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-109789143-A Antiproliferative based on pyrimidine G1治疗公司 2019-05-21 CN disclosed