Formic Acid

Formic Acid

SCHEMBL29173306

CNc1nc(Nc2ccc(CN3CCN(C)CC3)c(Cl)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C.O=CO

nearest known ligand 0.36

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.36
▸ BCR P11274 2/20 0.36
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ EML4 Q9HC35 8/20 0.34
▸ ALK Q9UM73 8/20 0.34
▸ EGFR P00533 3/20 0.34
▸ AXL P30530 2/20 0.34
▸ RET P07949 3/20 0.34
▸ ROS1 P08922 3/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ ERBB4 Q15303 1/20 0.33
▸ ETV6 P41212 1/20 0.33

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 SCHEMBL30205502 1.00 ABL1 (0.36) ABL1BCRIKBKETBK1EML4
SCHEMBL24944444 0.97 ABL1 (0.37) ABL1BCRIKBKETBK1EML4
Formic Acid SCHEMBL30206367 0.90 IKBKE (0.43) IKBKETBK1EML4ALKAXL
SCHEMBL29173374 0.90 ABL1 (0.37) ABL1BCREGFRAXLRET
SCHEMBL30206314 0.90 ABL1 (0.37) ABL1BCREGFRAXLRET
SCHEMBL30205589 0.87 IKBKE (0.46) IKBKETBK1EML4ALKAXL
SCHEMBL24943840 0.87 IKBKE (0.46) IKBKETBK1EML4ALKAXL
Formic Acid SCHEMBL30205666 0.85 TBK1 (0.37) IKBKETBK1EML4ALKAXL
SCHEMBL24943812 0.82 IKBKE (0.38) IKBKETBK1EML4ALKRET
SCHEMBL30205471 0.82 IKBKE (0.38) IKBKETBK1EML4ALKRET

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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