SCHEMBL8889043

SCHEMBL8889043

COC(=O)C=Cc1cccc2ncc(-c3cccc(F)c3)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
MAP4K4 O95819 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
KIT P10721 1/20 0.40
GRIN2B Q13224 1/20 0.40
XPO1 O14980 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL8879272 0.81 KMT2A (0.57) RELAKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL8879268 0.81 KMT2A (0.57) RELAKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL8890230 0.79 KMT2A (0.54) RELAKDM4EKMT2ASMN1; SMN2PDGFRB
SCHEMBL8499635 0.77 AXL (0.49) PDGFRBPDGFRAMAP4K4GSK3AGSK3B
SCHEMBL8889052 0.77 MAP4K4 (0.42) RELAPDGFRBPDGFRAMAP4K4GSK3A
SCHEMBL8889037 0.77 MAP4K4 (0.42) RELAPDGFRBPDGFRAMAP4K4GSK3A
SCHEMBL8887518 0.76 NFE2L2 (0.47) PDGFRBPDGFRAMAP4K4PIK3CAMTOR
SCHEMBL8501972 0.76 NFE2L2 (0.47) PDGFRBPDGFRAMAP4K4PIK3CAMTOR
SCHEMBL8889861 0.72 MAP4K4 (0.45) PDGFRBPDGFRAMAP4K4GSK3AGSK3B
Hydrochloric Acid SCHEMBL8503257 0.72 MTNR1B (0.46) PDGFRBPDGFRAMAP4K4GSK3AGSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US claimed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed