SCHEMBL28686189

SCHEMBL28686189

CC(C)(C)c1ccc(CNc2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.53
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL30725769 1.00 HIF1A (0.53) HIF1ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30725768 0.86 CYP1A2 (0.50) HIF1ALMNAMEN1KMT2AMAPT
SCHEMBL28700972 0.86 CYP1A2 (0.50) HIF1ALMNAMEN1KMT2AMAPT
SCHEMBL5214272 0.75 CKS1B (0.49) HIF1AGAAUSP2CYP1A2CYP3A4
SCHEMBL27878227 0.73 AKT1 (0.47) HIF1AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13657976 0.73 SMN1; SMN2 (0.57) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29580298 0.73 CXCR4 (0.74) HIF1ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28697301 0.73 CKS1B (0.55) HIF1ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30725763 0.73 CKS1B (0.55) HIF1ALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5211084 0.70 CKS1B (0.53) LMNAMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206499-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-18 — — CN disclosed
CN-118146165-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-07 — — CN disclosed
CN-113968824-B 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-01-19 — — CN disclosed
CN-113968824-A 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2022-01-25 — — CN disclosed
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