SCHEMBL29173539

SCHEMBL29173539

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.41
▸ EGFR P00533 3/20 0.40
▸ SRC P12931 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL30206221 0.93 EGFR (0.40) SYKEGFRSRCFGFR1JAK2
SCHEMBL29173611 0.93 EGFR (0.40) SYKEGFRSRCFGFR1JAK2
SCHEMBL24944757 0.93 TBK1 (0.42) SYKEGFRSRCFGFR1KDM4E
SCHEMBL29173582 0.87 PIM1 (0.41) SYKJAK2KDRABL1
SCHEMBL30206281 0.86 HRH3 (0.37) SYK
SCHEMBL29173651 0.86 HRH3 (0.37) SYK
SCHEMBL29173422 0.84 TNIK (0.39) SYKSRCFGFR1CDK1KDR
SCHEMBL30205550 0.83 CAMK2D (0.40) SYKFGFR1CDK1KDR
SCHEMBL24944792 0.83 CAMK2D (0.40) SYKFGFR1CDK1KDR
SCHEMBL29173415 0.83 CCNC (0.42) SYKEGFRALDH1A1SMN1; SMN2

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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