SCHEMBL31592925

SCHEMBL31592925

Clc1cc2[nH]c(-c3cccc(Nc4ccc(-c5cccnn5)cc4)c3)nc2cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.42
▸ MET P08581 7/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KIT P10721 1/20 0.38

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
SCHEMBL30726488 0.89 KDM4E (0.40) KDRMETKDM4EALDH1A1HPGD
SCHEMBL31592830 0.89 KDR (0.45) KDRMETKDM4EALDH1A1HPGD
SCHEMBL31592921 0.88 RHEB (0.45) KDRMETKDM4EALDH1A1HPGD
SCHEMBL31592870 0.87 KIT (0.43) KDRMETKDM4EALDH1A1HPGD
SCHEMBL31593118 0.87 KDM4E (0.50) KDRMETKDM4EALDH1A1HPGD
SCHEMBL31593009 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDNR2E3MEN1
SCHEMBL27039968 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL31592948 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL31592823 0.85 KDR (0.45) KDRMETKDM4EALDH1A1HPGD
SCHEMBL31592843 0.85 KDR (0.41) KDRMETKDM4EALDH1A1HPGD

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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