SCHEMBL31592944

SCHEMBL31592944

c1cnc(-c2ccc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 2/20 0.57
THRB P10828 1/20 0.57
RECQL P46063 1/20 0.57
ATM Q13315 1/20 0.57
MMP2 P08253 3/20 0.56
MMP9 P14780 3/20 0.56
MMP8 P22894 3/20 0.56
MMP13 P45452 2/20 0.56
COMT P21964 2/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 3/20 0.51

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
SCHEMBL30726447 0.89 MMP2 (0.62) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL27040001 0.88 SMN1; SMN2 (0.56) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL31592835 0.88 SMN1; SMN2 (0.56) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL27039992 0.86 MMP2 (0.60) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL31592970 0.86 KDM4E (0.61) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL31592887 0.86 MMP2 (0.60) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL27039948 0.86 KDM4E (0.53) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL31592866 0.86 KDM4E (0.53) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL31592889 0.86 KDM4E (0.55) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL31592952 0.85 KDM4E (0.49) KDM4ENPC1RAB9AMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed