SCHEMBL5822163

SCHEMBL5822163

O=C1Nc2ccccc2C1=C(CCO)c1c[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.48
▸ PRKD3 O94806 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ RET P07949 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ GRK5 P34947 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48
▸ LIMK1 P53667 1/20 0.48

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
SCHEMBL5468659 0.91 NTRK1 (0.47) NTRK1PRKD3ABL1DAPK3MAP4K4
SCHEMBL5469781 0.82 PBRM1 (0.51) NTRK1PRKD3ABL1DAPK3MAP4K4
SCHEMBL5472388 0.77 CCKBR (0.39) NTRK1PRKD3ABL1DAPK3MAP4K4
SCHEMBL5472389 0.77 CCKBR (0.39) NTRK1PRKD3ABL1DAPK3MAP4K4
SCHEMBL5822194 0.77 KMT2A (0.46) CCKBRCCKARALDH1A1MAPK1
SCHEMBL5813081 0.77 NTRK1 (0.48) NTRK1PRKD3ABL1DAPK3MAP4K4
SCHEMBL5822242 0.76 ALDH1A1 (0.53) LRRK2CCKBRCCKARALDH1A1
SCHEMBL5477306 0.68 KDM4E (0.45) NTRK1PRKD3ABL1DAPK3MAP4K4
SCHEMBL14320160 0.66 IDO1 (0.56) PDGFRALTKLRRK2ALDH1A1IDO1
SCHEMBL23525604 0.66 IMPDH2 (0.43) NTRK1PRKD3ABL1DAPK3MAP4K4

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
WO-2006105796-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 — — WO disclosed
Send feedback