SCHEMBL24865739

SCHEMBL24865739

CNc1cc(Nc2ccc(-n3ccnc3)cc2)ccc1N(C)N=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HTT P42858 1/20 0.39
TNIK Q9UKE5 4/20 0.39
CYP3A4 P08684 4/20 0.39
BAZ2B Q9UIF8 1/20 0.39
CYP2D6 P10635 3/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 4/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL24865688 0.75 EGFR (0.47) HTTMAPTMEN1ALDH1A1KMT2A
SCHEMBL24865658 0.74 SYK (0.34) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL24865601 0.73 MEN1 (0.31) CYP2D6CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL24865643 0.73 PDGFRB (0.37) MAPTMEN1ALDH1A1KMT2ATDP1
SCHEMBL24865708 0.73 MEN1 (0.33) CYP2D6CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL24865612 0.72 PKM (0.38) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL24865300 0.71 CNR2 (0.34) CYP3A4MAPT
SCHEMBL10574531 0.69 MAPT (0.60) ENPP2MKNK1MKNK2HTTCYP3A4
SCHEMBL24865752 0.69 PTK2 (0.38) MAPTLMNAMEN1ALDH1A1KMT2A
SCHEMBL28484940 0.67 CYP3A4 (0.71) ENPP2MKNK1MKNK2HTTCYP3A4

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