SCHEMBL31475210

SCHEMBL31475210

CCNC(=O)c1cc(F)ccc1Sc1ccc2c(/C=C/c3cc(CCCN4CCCC4)ccn3)nn(C3CCCCO3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.37
HTR2A P28223 6/20 0.37
HTR1A P08908 3/20 0.37
KDR P35968 4/20 0.34
CCR3 P51677 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
CTSS P25774 1/20 0.32
FGFR1 P11362 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL30786134 0.92 KDR (0.38) DRD2HTR2AHTR1AKDRHTR2C
SCHEMBL31475216 0.89 DRD2 (0.33) DRD2HTR2AHTR1AKDR
SCHEMBL30786099 0.89 KDR (0.39) DRD2HTR2AHTR1AKDR
SCHEMBL30786226 0.87 CHEK1 (0.34) DRD2HTR2AHTR1AKDR
SCHEMBL31475160 0.85 KDR (0.40) DRD2HTR2AHTR1AKDRCCR3
SCHEMBL30786076 0.84 KDR (0.47) DRD2HTR2AHTR1AKDRFGFR1
SCHEMBL30786214 0.82 KDR (0.34) DRD2HTR2AKDR
SCHEMBL31576753 0.82 KDR (0.53) DRD2HTR2AHTR1AKDRFGFR1
SCHEMBL30786078 0.81 KDR (0.36) DRD2HTR2AHTR1AKDR
SCHEMBL30786082 0.81 DRD2 (0.35) DRD2HTR2AHTR1ACTSSLMNA

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-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed