SCHEMBL29173301

SCHEMBL29173301

CNc1nc(Nc2ccc(N3CC(N(C)C)C3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.39
▸ JAK3 P52333 4/20 0.39
▸ LCK P06239 2/20 0.39
▸ EML4 Q9HC35 8/20 0.38
▸ ALK Q9UM73 8/20 0.38
▸ RET P07949 6/20 0.38
▸ ROS1 P08922 6/20 0.38
▸ FLT3 P36888 6/20 0.38
▸ SYK P43405 6/20 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
Formic Acid SCHEMBL30205747 0.97 BTK (0.37) BTKJAK3LCKEML4ALK
SCHEMBL29173389 0.92 EGFR (0.33) BTKJAK3LCKALKSYK
SCHEMBL30206216 0.92 EGFR (0.33) BTKJAK3LCKALKSYK
SCHEMBL24944971 0.89 RET (0.41) BTKJAK3LCKEML4ALK
SCHEMBL30205554 0.89 RET (0.41) BTKJAK3LCKEML4ALK
SCHEMBL30205565 0.89 EML4 (0.40) BTKLCKEML4ALKRET
SCHEMBL30206167 0.89 EML4 (0.41) BTKLCKEML4ALKRET
SCHEMBL24944782 0.87 RET (0.49) BTKLCKEML4ALKRET
SCHEMBL24943791 0.87 EML4 (0.48) JAK3LCKEML4ALKRET
SCHEMBL24944209 0.85 SYK (0.44) BTKJAK3LCKEML4ALK

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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