SCHEMBL29173448

SCHEMBL29173448

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.36
▸ IDH1 O75874 7/20 0.34
▸ LCK P06239 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ BTK Q06187 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ P2RX3 P56373 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TTBK1 Q5TCY1 1/20 0.32
▸ TTBK2 Q6IQ55 1/20 0.32

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
SCHEMBL30206336 1.00 SYK (0.36) SYKIDH1LCKJAK3BTK
SCHEMBL30206133 0.93 SYK (0.33) SYKIDH1P2RX3ALDH1A1LMNA
SCHEMBL29173462 0.93 SYK (0.33) SYKIDH1P2RX3ALDH1A1LMNA
SCHEMBL24944970 0.92 LCK (0.40) SYKIDH1LCKJAK3BTK
SCHEMBL30206107 0.89 CYP1A2 (0.35) LCKBTKMAPTALDH1A1LMNA
SCHEMBL29173378 0.89 CYP1A2 (0.35) LCKBTKMAPTALDH1A1LMNA
SCHEMBL29173540 0.88 SYK (0.36) SYKLCKJAK3BTK
SCHEMBL30206043 0.88 SYK (0.32) SYKLCKJAK3BTKMAPT
SCHEMBL30206169 0.88 SYK (0.36) SYKLCKJAK3BTK
SCHEMBL29173617 0.88 SYK (0.32) SYKLCKJAK3BTKMAPT

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
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