SCHEMBL31592970

SCHEMBL31592970

c1cc(Nc2ccc(-c3ccncc3)cc2)cc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 5/20 0.61
PKN1 Q16512 1/20 0.61
PKN2 Q16513 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
HPGD P15428 3/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
ATM Q13315 1/20 0.55
MMP2 P08253 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MMP13 P45452 2/20 0.54

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 0.92 MMP2 (0.62) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31593016 0.89 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31593036 0.88 KDM4E (0.52) KDM4EALDH1A1PKN1PKN2SMN1; SMN2
SCHEMBL27040075 0.88 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31592903 0.88 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31592975 0.87 MMP2 (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31592944 0.86 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31592956 0.86 KDM4E (0.50) KDM4EALDH1A1PKN1PKN2SMN1; SMN2
SCHEMBL30440947 0.85 KDM4E (0.73) KDM4EALDH1A1PKN1PKN2SMN1; SMN2
SCHEMBL31592835 0.84 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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