SCHEMBL27959331

SCHEMBL27959331

CN1CCN(CC2CCC(=O)N2c2ccc(N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
PDGFRB P09619 2/20 0.43
FGFR1 P11362 2/20 0.43
KDR P35968 2/20 0.43
KCNH2 Q12809 2/20 0.43
GAA P10253 2/20 0.43
GFER P55789 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRA2C P18825 1/20 0.43
KMT2A Q03164 1/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 1/20 0.43
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PTGER2 P43116 3/20 0.37
PTGER3 P43115 2/20 0.37

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
SCHEMBL27959330 1.00 LMNA (0.43) LMNAKDM4EMAPTPDGFRBFGFR1
SCHEMBL27959334 0.83 SIRT6 (0.50) LMNAPDGFRBFGFR1KDRKCNH2
SCHEMBL27959335 0.83 SIRT6 (0.50) LMNAPDGFRBFGFR1KDRKCNH2
SCHEMBL28084589 0.75 PTGER2 (0.40) KDM4EMAPTPDGFRBFGFR1KDR
SCHEMBL28084590 0.75 PTGER2 (0.40) KDM4EMAPTPDGFRBFGFR1KDR
SCHEMBL27794794 0.72 HRH3 (0.43) LMNAKCNH2ALDH1A1KMT2AHDAC1
SCHEMBL521039 0.71 MAPT (0.62) LMNAKDM4EMAPTKCNH2GAA
SCHEMBL25416662 0.70 ALDH1A1 (0.42) KDM4EMAPTGAAGFERALDH1A1
SCHEMBL30912518 0.70 ALDH1A1 (0.42) KDM4EMAPTGAAGFERALDH1A1
SCHEMBL30912507 0.70 ALDH1A1 (0.42) KDM4EMAPTGAAGFERALDH1A1

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-103848814-B The full ketone derivatives of substituted indole as tyrosine kinase inhibitor 山东亨利医药科技有限责任公司 2016-08-17 CN disclosed
CN-103848814-A Substituted indole ketone derivative as tyrosine kinase inhibitor KBP BIOSCIENCES CO LTD 2014-06-11 CN disclosed