SCHEMBL24865403

SCHEMBL24865403

Cc1cc(N2CCC(C(F)(F)F)CC2)ccc1Nc1ccc2[nH]cnc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.39
DCLK1 O15075 1/20 0.36
LRRK2 Q5S007 1/20 0.36
EGFR P00533 3/20 0.34
ULK1 O75385 1/20 0.34
ULK2 Q8IYT8 1/20 0.34
IP6K1 Q92551 2/20 0.33
PIK3CA P42336 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL24865487 0.83 TTK (0.34) TTKDCLK1LRRK2PDGFRBPDGFRA
SCHEMBL24865568 0.80 ROCK2 (0.47) LRRK2EGFRULK1PDGFRBPDGFRA
SCHEMBL30336110 0.80 ROCK2 (0.47) LRRK2EGFRULK1PDGFRBPDGFRA
SCHEMBL24865446 0.80 BCL6 (0.39) DCLK1LRRK2
SCHEMBL31123302 0.80 BCL6 (0.39) DCLK1LRRK2
SCHEMBL30336615 0.80 MAPT (0.39) TTKLRRK2
SCHEMBL24865562 0.80 MAPT (0.39) TTKLRRK2
SCHEMBL24865626 0.78 ADRA2A (0.47) ULK1ULK2
SCHEMBL24864881 0.78 HRH3 (0.39) TTKDCLK1LRRK2PIK3CA
SCHEMBL30336452 0.78 HRH3 (0.39) TTKDCLK1LRRK2PIK3CA

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed