SCHEMBL30368490

SCHEMBL30368490

O=C1Cc2c(ncc([N+](=O)[O-])c2Cl)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
KDR P35968 2/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL26326289 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BGSK3BCDK5
SCHEMBL29317013 0.74 FGFR1 (0.37) GSK3BCDK5KDRCHEK1AURKA
SCHEMBL30057144 0.74 FGFR1 (0.37) GSK3BCDK5KDRCHEK1AURKA
SCHEMBL27167139 0.72 CDK5 (0.36) HTR2AHTR2CHTR2BGSK3BCDK5
SCHEMBL15872980 0.70 HTR2A (0.39) HTR2AHTR2CHTR2BTDP1POLB
SCHEMBL29600231 0.70 HTR2A (0.39) HTR2AHTR2CHTR2BTDP1POLB
SCHEMBL24192115 0.67 CHEK1 (0.39) GSK3BCDK5KDRCHEK1AURKA
SCHEMBL580431 0.65 CDK5 (0.47) GSK3BCDK5KDRCHEK1AURKA
SCHEMBL1699143 0.64 MEN1 (0.44) GSK3BCDK5KDRMAP4K4ABL1
SCHEMBL31032294 0.63 CDK5 (0.48) GSK3BCDK5KDRCHEK1AURKA

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
EP-4175719-A1 TRICYCLIC UREA COMPOUNDS AS JAK2 V617F INHIBITORS Incyte Corporation (US) 2023-05-10 EP disclosed