SCHEMBL24944461

SCHEMBL24944461

CNc1nc(Nc2cccc(C3CCN(C)CC3)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 11/20 0.42
▸ ALK Q9UM73 11/20 0.42
▸ EGFR P00533 4/20 0.38
▸ LCK P06239 4/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ AXL P30530 1/20 0.37
▸ ETV6 P41212 1/20 0.37
▸ FLT3 P36888 4/20 0.37
▸ RET P07949 3/20 0.37
▸ ROS1 P08922 3/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ SYK P43405 1/20 0.36

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 SCHEMBL29173289 0.97 EML4 (0.40) EML4ALKEGFRLCKJAK3
Formic Acid SCHEMBL30205508 0.97 EML4 (0.40) EML4ALKEGFRLCKJAK3
SCHEMBL29173442 0.92 EGFR (0.40) EML4ALKEGFRJAK3FLT3
SCHEMBL24944460 0.86 EML4 (0.51) EML4ALKEGFRLCKJAK3
SCHEMBL30205535 0.86 EML4 (0.51) EML4ALKEGFRLCKJAK3
SCHEMBL24943828 0.84 CDK2 (0.37) LCKJAK3MAP4K1SYK
SCHEMBL29173534 0.84 ALK (0.36) ALKEGFRJAK3AXLSYK
SCHEMBL31577227 0.84 JAK2 (0.36) EGFRJAK3FLT3MAP4K1
SCHEMBL24943823 0.83 CAMK2D (0.41) EML4ALKEGFRLCKJAK3
SCHEMBL30205967 0.83 JAK3 (0.43) ALKEGFRLCKJAK3SYK

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
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 — — WO disclosed
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