SCHEMBL31592976

SCHEMBL31592976

CC(C)(C)c1ccc2nc(-c3cccc(Nc4ccc(-c5ccccc5)nn4)c3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.48
▸ SCD O00767 1/20 0.47
▸ NPBWR1 P48145 1/20 0.46
▸ DGAT1 O75907 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDR P35968 3/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ PDPK1 O15530 1/20 0.43
▸ JAK2 O60674 1/20 0.43

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
SCHEMBL27040749 0.90 NPBWR1 (0.61) NPBWR1DGAT1KCNH2MEN1KMT2A
SCHEMBL31592960 0.90 NPBWR1 (0.61) NPBWR1DGAT1KCNH2MEN1KMT2A
SCHEMBL31592951 0.85 MMP2 (0.55) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL27040119 0.85 MMP2 (0.55) KDM4EMEN1KMT2AALDH1A1POLB
SCHEMBL31592780 0.85 ALDH1A1 (0.58) METAP2NPBWR1DGAT1KDM4EMEN1
SCHEMBL27039905 0.82 RUNX1 (0.51) NPBWR1DGAT1KDM4EMEN1KMT2A
SCHEMBL31592786 0.82 RUNX1 (0.51) NPBWR1DGAT1KDM4EMEN1KMT2A
SCHEMBL31592911 0.81 NR2E3 (0.44) DGAT1KDM4EMEN1KMT2AALDH1A1
SCHEMBL27040102 0.81 NR2E3 (0.44) DGAT1KDM4EMEN1KMT2AALDH1A1
SCHEMBL31593072 0.80 METAP2 (0.49) METAP2SCDNPBWR1DGAT1KCNH2

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
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