SCHEMBL24944983

SCHEMBL24944983

CNc1nc(Nc2cnc(N3CCN(C)C[C@H]3C)c(C)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ EML4 Q9HC35 15/20 0.34
▸ ALK Q9UM73 15/20 0.34
▸ RET P07949 8/20 0.32
▸ ROS1 P08922 8/20 0.32
▸ FLT3 P36888 8/20 0.32
▸ CHEK1 O14757 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ ATR Q13535 1/20 0.30

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
SCHEMBL30205534 0.89 MTOR (0.41) AXLEML4ALKRETROS1
SCHEMBL24944748 0.89 MTOR (0.41) AXLEML4ALKRETROS1
SCHEMBL30205512 0.89 MTOR (0.41) AXLEML4ALKRETROS1
SCHEMBL24944438 0.89 MTOR (0.41) AXLEML4ALKRETROS1
SCHEMBL30801947 0.86 JAK1 (0.33) EML4ALKRETROS1FLT3
SCHEMBL24944764 0.85 LRRK2 (0.34) EML4ALKRETROS1FLT3
SCHEMBL30205545 0.85 LRRK2 (0.34) EML4ALKRETROS1FLT3
SCHEMBL24944436 0.84 EML4 (0.36) AXLEML4ALKRETROS1
SCHEMBL30205483 0.84 EML4 (0.36) AXLEML4ALKRETROS1
Formic Acid SCHEMBL30206327 0.84 BTK (0.32) EML4ALK

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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