SCHEMBL24944443

SCHEMBL24944443

CNc1nc(Nc2ccc(CN3CC[C@H](F)C3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 8/20 0.36
▸ ALK Q9UM73 8/20 0.36
▸ SYK P43405 2/20 0.35
▸ JAK3 P52333 4/20 0.35
▸ RET P07949 4/20 0.35
▸ ROS1 P08922 4/20 0.35
▸ FLT3 P36888 4/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ GRM2 Q14416 2/20 0.35
▸ EGFR P00533 3/20 0.34
▸ LCK P06239 3/20 0.34
▸ BTK Q06187 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34
▸ PDGFRA P16234 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
SCHEMBL24944446 1.00 EML4 (0.36) EML4ALKSYKJAK3RET
SCHEMBL24944169 1.00 EML4 (0.36) EML4ALKSYKJAK3RET
Formic Acid SCHEMBL30205519 0.97 EML4 (0.34) EML4ALKSYKJAK3RET
Formic Acid SCHEMBL30205526 0.97 EML4 (0.34) EML4ALKSYKJAK3RET
Formic Acid SCHEMBL29173283 0.97 EML4 (0.34) EML4ALKSYKJAK3RET
SCHEMBL24944172 0.90 TBK1 (0.39) EML4ALKSYKRETROS1
SCHEMBL24944452 0.89 IKBKE (0.36) EML4ALKSYKJAK3RET
SCHEMBL24943822 0.89 IKBKE (0.36) EML4ALKSYKJAK3RET
SCHEMBL24943817 0.89 IKBKE (0.36) EML4ALKSYKJAK3RET
SCHEMBL30801807 0.89 IKBKE (0.36) EML4ALKSYKJAK3RET

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