SCHEMBL29173501

SCHEMBL29173501

Cc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(=O)O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.42
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ PKMYT1 Q99640 1/20 0.38
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ AURKA O14965 2/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ STAT6 P42226 2/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ ZAP70 P43403 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL30205764 0.93 EML4 (0.45) JAK3CCNA2CDK2AURKACDK4
SCHEMBL24944959 0.93 EML4 (0.45) JAK3CCNA2CDK2AURKACDK4
SCHEMBL30206147 0.92 PKMYT1 (0.41) PIM1JAK2JAK3PKMYT1CCNA2
SCHEMBL29173586 0.91 PIM1 (0.41) PIM1JAK2JAK3CCNA2CDK2
SCHEMBL29173582 0.91 PIM1 (0.41) PIM1JAK2JAK3PKMYT1CCNA2
SCHEMBL29173706 0.89 JAK2 (0.43) PIM1JAK2JAK3DGAT1CCNA2
SCHEMBL30206091 0.89 JAK2 (0.43) PIM1JAK2JAK3DGAT1CCNA2
SCHEMBL30205765 0.84 EML4 (0.45) JAK3CCNA2CDK2AURKACDK4
SCHEMBL24944729 0.84 EML4 (0.45) JAK3CCNA2CDK2AURKACDK4
SCHEMBL24943791 0.84 EML4 (0.48) JAK3CCNA2CDK2AURKACDK4

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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