SCHEMBL24865612

SCHEMBL24865612

CNc1cc(Nc2ccc3c(ccn3C)c2)ccc1N(C)N=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
EGFR P00533 1/20 0.38
GRM4 Q14833 1/20 0.37
HTR2B P41595 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2C P28335 4/20 0.36
CYP2A6 P11509 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL24865708 0.75 MEN1 (0.33) PKMMEN1CYP1A2CYP2D6MAPT
SCHEMBL24865601 0.73 MEN1 (0.31) PKMMEN1CYP1A2CYP2D6MAPT
SCHEMBL24865739 0.72 ENPP2 (0.40) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL24865688 0.72 EGFR (0.47) PKMEGFRMEN1TP53MAPT
SCHEMBL31035921 0.71 PRKCI (0.55) PKMEGFRGRM4HTR2BMEN1
SCHEMBL9400551 0.71 PRKCI (0.55) PKMEGFRGRM4HTR2BMEN1
SCHEMBL24865752 0.71 PTK2 (0.38) EGFRMEN1MAPTKMT2ALMNA
SCHEMBL24865658 0.69 SYK (0.34) MEN1TP53MAPTKMT2AKDM4E
SCHEMBL24865643 0.68 PDGFRB (0.37) MEN1MAPTKMT2AKDM4ETDP1
SCHEMBL15152207 0.68 MAOB (0.63) PKMEGFRGRM4HTR2BMEN1

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