SCHEMBL29173540

SCHEMBL29173540

CNc1nc(Nc2ccc(OCCOC)cc2)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.36
▸ BTK Q06187 9/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ EGFR P00533 9/20 0.34
▸ ITK Q08881 4/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ LYN P07948 1/20 0.34
▸ TEC P42680 1/20 0.34
▸ TXK P42681 1/20 0.34
▸ BMX P51813 1/20 0.34
▸ CD69 Q07108 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND2 P30279 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 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
SCHEMBL30206169 1.00 SYK (0.36) SYKBTKJAK3LCKEGFR
SCHEMBL29173617 0.93 SYK (0.32) SYKBTKJAK3LCKEGFR
SCHEMBL30206043 0.93 SYK (0.32) SYKBTKJAK3LCKEGFR
SCHEMBL24944978 0.93 BTK (0.41) SYKBTKJAK3LCKEGFR
SCHEMBL29173670 0.91 BTK (0.37) SYKBTKJAK3LCKEGFR
SCHEMBL30206119 0.91 BTK (0.37) SYKBTKJAK3LCKEGFR
SCHEMBL29173448 0.88 SYK (0.36) SYKBTKJAK3LCK
SCHEMBL30206336 0.88 SYK (0.36) SYKBTKJAK3LCK
SCHEMBL29173653 0.88 BTK (0.37) BTK
SCHEMBL29173378 0.87 CYP1A2 (0.35) BTKLCKITKCDK4CCND3

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