SCHEMBL24944999

SCHEMBL24944999

CNc1nc(Nc2ccc(-n3cnc(C)c3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 4/20 0.34
▸ PSEN2 P49810 4/20 0.34
▸ APH1B Q8WW43 4/20 0.34
▸ NCSTN Q92542 4/20 0.34
▸ APH1A Q96BI3 4/20 0.34
▸ PSENEN Q9NZ42 4/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ EML4 Q9HC35 9/20 0.33
▸ ALK Q9UM73 9/20 0.33
▸ RET P07949 9/20 0.33
▸ ROS1 P08922 9/20 0.33
▸ FLT3 P36888 9/20 0.33
▸ SYK P43405 3/20 0.33
▸ KCNH2 Q12809 1/20 0.31
▸ PTK2 Q05397 1/20 0.31

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
SCHEMBL30205470 1.00 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29173390 0.91 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24943828 0.85 CDK2 (0.37) SYK
SCHEMBL30206306 0.85 EML4 (0.33) EML4ALKRETROS1FLT3
SCHEMBL30205499 0.85 TYK2 (0.37) EML4ALKSYK
SCHEMBL24944982 0.85 TYK2 (0.37) EML4ALKSYK
SCHEMBL24944782 0.85 RET (0.49) EML4ALKRETROS1FLT3
SCHEMBL24944209 0.84 SYK (0.44) EML4ALKRETROS1FLT3
SCHEMBL30205569 0.84 SYK (0.44) EML4ALKRETROS1FLT3
Hydrochloric Acid SCHEMBL30206015 0.84 EML4 (0.33) 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 3 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
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