SCHEMBL31592855

SCHEMBL31592855

Clc1ccc2nc(-c3cccc(Nc4ncc(-c5ccccn5)cn4)c3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 4/20 0.60
▸ CBFB Q13951 4/20 0.60
▸ METAP1 P53582 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ FTO Q9C0B1 1/20 0.52
▸ KDR P35968 6/20 0.51
▸ SYK P43405 1/20 0.51
▸ MET P08581 2/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ NR2E3 Q9Y5X4 1/20 0.44

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
SCHEMBL31592897 0.89 CBFB (0.61) METAP2CBFBMETAP1KDM4EMAPT
SCHEMBL31592949 0.89 KDM4E (0.53) METAP2METAP1KDM4EMAPTTP53
SCHEMBL27039994 0.89 KDM4E (0.53) METAP2METAP1KDM4EMAPTTP53
SCHEMBL31592891 0.88 SYK (0.46) METAP2CBFBMETAP1KDM4EMAPT
SCHEMBL27040307 0.88 SYK (0.46) METAP2CBFBMETAP1KDM4EMAPT
SCHEMBL31592877 0.85 CBFB (0.62) METAP2CBFBMETAP1KDRSYK
SCHEMBL31593001 0.85 CBFB (0.59) METAP2CBFBMETAP1KDM4EMAPT
SCHEMBL31592820 0.85 SYK (0.47) METAP2CBFBMETAP1KDM4EMAPT
SCHEMBL31592811 0.85 METAP2 (0.47) METAP2CBFBMETAP1KDM4EMAPT
SCHEMBL27039954 0.85 METAP2 (0.47) METAP2CBFBMETAP1KDM4EMAPT

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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