SCHEMBL30206221

SCHEMBL30206221

CNc1nc(Nc2ccc(OCCN3CCOCC3)cc2)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.40
▸ SRC P12931 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ SYK P43405 4/20 0.39
▸ PPARG P37231 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TBK1 Q9UHD2 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
SCHEMBL29173611 1.00 EGFR (0.40) EGFRSRCFGFR1ABL1BCR
SCHEMBL29173539 0.93 SYK (0.41) EGFRSRCFGFR1ABL1BCR
SCHEMBL24944757 0.93 TBK1 (0.42) EGFRSRCFGFR1ABL1BCR
SCHEMBL29173422 0.91 TNIK (0.39) SRCFGFR1SYKCDK1KDR
SCHEMBL29173415 0.90 CCNC (0.42) EGFRSYKSMN1; SMN2
SCHEMBL30206202 0.88 PKMYT1 (0.40) ABL1SYKJAK2CDK1KDR
SCHEMBL29173512 0.88 PKMYT1 (0.40) ABL1SYKJAK2CDK1KDR
SCHEMBL30206169 0.88 SYK (0.36) EGFRABL1BCRSYKJAK2
SCHEMBL30206043 0.88 SYK (0.32) EGFRABL1BCRSYKJAK2
SCHEMBL29173540 0.88 SYK (0.36) EGFRABL1BCRSYKJAK2

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-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 — — EP disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 — — WO disclosed
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