SCHEMBL30605682

SCHEMBL30605682

CCCc1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 6/20 0.50
▸ SKP1 P63208 6/20 0.50
▸ SKP2 Q13309 6/20 0.50
▸ GPR84 Q9NQS5 1/20 0.45
▸ CTSK P43235 1/20 0.43
▸ SREBF2 Q12772 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 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
SCHEMBL30605678 0.86 CKS1B (0.47) CKS1BSKP1SKP2GPR84PDE10A
SCHEMBL11679597 0.85 CKS1B (0.53) CKS1BSKP1SKP2GPR84CNR1
SCHEMBL22332490 0.83 TDP1 (0.49) CKS1BSKP1SKP2GPR84ADORA3
SCHEMBL6326233 0.79 CKS1B (0.44) CKS1BSKP1SKP2GPR84PDE10A
SCHEMBL5218013 0.77 CKS1B (0.41) CKS1BSKP1SKP2GPR84PDE10A
SCHEMBL25060778 0.77 CKS1B (0.40) CKS1BSKP1SKP2GPR84CNR1
SCHEMBL10385698 0.76 CKS1B (0.47) CKS1BSKP1SKP2GPR84CNR1
SCHEMBL3989700 0.75 CKS1B (0.48) CKS1BSKP1SKP2ADORA3CNR1
SCHEMBL22332582 0.75 CTSS (0.45) CKS1BSKP1SKP2CTSKSREBF2
SCHEMBL20885791 0.74 CHEK1 (0.52) CNR1MAPTTP53KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745270-A Process for preparing diphenylpyrazine derivatives 埃科特莱茵药品有限公司 2023-09-12 — — CN disclosed
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