SCHEMBL31577202

SCHEMBL31577202

CNc1nc(Nc2ccc(CN3CCCC3)cc2)cnc1-c1cncc2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 5/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ MELK Q14680 1/20 0.34
▸ IL6 P05231 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ AXL P30530 4/20 0.33
▸ CCNC P24863 2/20 0.33
▸ CDK8 P49336 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ PDGFRA P16234 3/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ GAS6 Q14393 1/20 0.33

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
SCHEMBL31577208 0.88 HRH3 (0.33) FLT3PDCD1CD274TLR7AXL
SCHEMBL31577264 0.88 HRH3 (0.33) FLT3PDCD1CD274TLR7AXL
SCHEMBL31577243 0.88 CCNA2 (0.35) CDK1FLT3AXL
SCHEMBL31577218 0.88 CCNA2 (0.35) CDK1FLT3AXL
SCHEMBL31577233 0.88 CCNC (0.36) MELKTLR7CCNCCDK8PDGFRA
SCHEMBL31577228 0.82 AXL (0.37) KDRAXL
SCHEMBL24944172 0.82 TBK1 (0.39) CDK1KDRFLT3MELKAXL
SCHEMBL31577217 0.82 FLT3 (0.33) FLT3AXLCCNCCDK8PDGFRA
SCHEMBL29173404 0.81 MAPK10 (0.40) KDR
Formic Acid SCHEMBL30205666 0.80 TBK1 (0.37) CDK1KDRFLT3MELKAXL

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
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 — — EP claimed
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