SCHEMBL29173406

SCHEMBL29173406

CNc1nc(Nc2ccccc2)c(C(=O)NN)nc1-c1cncc2c1ncn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ PLK1 P53350 2/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CCND3 P30281 2/20 0.33
▸ CDK6 Q00534 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ BTK Q06187 2/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ ITK Q08881 1/20 0.32
▸ IKBKE Q14164 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32

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
SCHEMBL24943828 0.91 CDK2 (0.37) CDK2CCNA2PLK1CDK4CCND3
SCHEMBL30206107 0.88 CYP1A2 (0.35) CDK2CCNA2PLK1CDK4CCND3
SCHEMBL29173378 0.88 CYP1A2 (0.35) CDK2CCNA2PLK1CDK4CCND3
SCHEMBL30206306 0.81 EML4 (0.33) —
SCHEMBL24944978 0.81 BTK (0.41) CDK4CCND3BTKITKLCK
Hydrochloric Acid SCHEMBL30206015 0.80 EML4 (0.33) —
SCHEMBL24944758 0.80 BTK (0.34) CDK2CCNA2PLK1CCNA1AURKA
SCHEMBL24944998 0.80 EML4 (0.35) LCKGAA
SCHEMBL24944750 0.80 EGFR (0.41) CDK2CCNA2CCNA1BTKIKBKB
SCHEMBL30205575 0.80 EGFR (0.41) CDK2CCNA2CCNA1BTKIKBKB

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
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 claimed
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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