SCHEMBL24967152

SCHEMBL24967152

Cc1ccc2c(c1)/C(=C/c1cccs1)C(=O)N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.65
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
RET P07949 3/20 0.59
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NTRK1 P04629 1/20 0.56
PDGFRB P09619 1/20 0.55
MAP4K1 Q92918 1/20 0.52
PAK4 O96013 1/20 0.52
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49
CTRC Q99895 1/20 0.49
ROS1 P08922 1/20 0.49
CDK5 Q00535 1/20 0.49
ACVR1 Q04771 1/20 0.49
LRRK2 Q5S007 1/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
JAK3 P52333 2/20 0.47

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
SCHEMBL5999570 0.84 PDPK1 (0.65) PDPK1RETNTRK1PDGFRBPAK4
SCHEMBL3747231 0.84 NTRK1 (0.65) PDPK1KMT2AMEN1RETMAPT
SCHEMBL5358233 0.84 PDPK1 (0.62) PDPK1KMT2AMEN1RETMAPT
SCHEMBL18499300 0.84 PDPK1 (0.62) PDPK1KMT2ARETALDH1A1NTRK1
SCHEMBL3749915 0.84 PDPK1 (0.62) PDPK1KMT2AMEN1RETMAPT
SCHEMBL29638268 0.84 NTRK1 (0.65) PDPK1KMT2AMEN1RETMAPT
SCHEMBL5999571 0.84 PDPK1 (0.65) PDPK1RETNTRK1PDGFRBPAK4
SCHEMBL3749912 0.84 PDPK1 (0.62) PDPK1KMT2AMEN1RETMAPT
SCHEMBL3747230 0.84 NTRK1 (0.65) PDPK1KMT2AMEN1RETMAPT
SCHEMBL17679355 0.81 PDPK1 (0.74) PDPK1KMT2AMEN1MAPTALDH1A1

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-2023001942-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS RAPPOSELLI SIMONA (IT) 2023-01-26 WO disclosed