SCHEMBL29173676

SCHEMBL29173676

Cc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 6/20 0.56
▸ ALK Q9UM73 6/20 0.56
▸ RET P07949 5/20 0.51
▸ ROS1 P08922 5/20 0.51
▸ FLT3 P36888 5/20 0.51
▸ AURKA O14965 1/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ CDK6 Q00534 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SYK P43405 4/20 0.47
▸ LCK P06239 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL30206344 1.00 EML4 (0.56) EML4ALKRETROS1FLT3
SCHEMBL30206048 0.88 MAPT (0.49) EML4ALKTP53MAPK1MAPT
SCHEMBL29173619 0.88 MAPT (0.49) EML4ALKTP53MAPK1MAPT
SCHEMBL31195393 0.81 EML4 (0.51) EML4ALKRETROS1FLT3
SCHEMBL30205943 0.81 SYK (0.53) EML4ALKAURKACDK4CCNA2
SCHEMBL29173352 0.81 SYK (0.53) EML4ALKAURKACDK4CCNA2
SCHEMBL13405489 0.81 PIM1 (0.64) EML4ALKRETROS1FLT3
SCHEMBL30206068 0.79 EML4 (0.58) EML4ALKRETROS1FLT3
SCHEMBL29173494 0.79 EML4 (0.58) EML4ALKRETROS1FLT3
SCHEMBL10126777 0.78 EML4 (0.67) 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
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
Send feedback