SCHEMBL24944744

SCHEMBL24944744

CC(O)CNc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cccc2c1ncn2C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 7/20 0.46
▸ ALK Q9UM73 7/20 0.46
▸ RET P07949 8/20 0.46
▸ ROS1 P08922 8/20 0.46
▸ FLT3 P36888 8/20 0.46
▸ SYK P43405 1/20 0.41
▸ STAT6 P42226 8/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39

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
SCHEMBL24943806 1.00 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL24944743 1.00 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL29173297 0.93 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL30205539 0.93 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL24944366 0.93 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL24944749 0.93 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL24944365 0.93 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL24944163 0.91 EML4 (0.51) EML4ALKRETROS1FLT3
SCHEMBL30205743 0.91 EML4 (0.51) EML4ALKRETROS1FLT3
SCHEMBL24944963 0.90 EML4 (0.48) EML4ALKRETROS1FLT3

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
Send feedback