SCHEMBL29173474

SCHEMBL29173474

CNc1nc(Nc2cc(C)nc(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TYK2 P29597 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL30205968 1.00 HPGD (0.32) HPGDMAPK1TYK2YTHDC1
SCHEMBL29173658 0.91 BUB1 (0.34) —
SCHEMBL29173644 0.90 — —
SCHEMBL30206269 0.90 — —
SCHEMBL24944982 0.90 TYK2 (0.37) TYK2
SCHEMBL30205499 0.90 TYK2 (0.37) TYK2
SCHEMBL29173378 0.88 CYP1A2 (0.35) YTHDC1
SCHEMBL30206107 0.88 CYP1A2 (0.35) YTHDC1
SCHEMBL31195396 0.87 SYK (0.31) —
SCHEMBL29173666 0.87 HPGD (0.32) HPGDMAPK1

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-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 — — CN disclosed
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