SCHEMBL29907773

SCHEMBL29907773

Cc1ccn(-c2nc(N)c(C(=O)Nc3ccccc3OC(F)F)nc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ ATR Q13535 1/20 0.36

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
SCHEMBL22552073 1.00 HTT (0.42) HTTSMN1; SMN2CTDSP1KMT2AMEN1
SCHEMBL29906699 0.84 HTT (0.38) HTTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL22552070 0.84 HTT (0.38) HTTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL21722411 0.82 ADORA2A (0.47) HTTSMN1; SMN2CTDSP1LMNAATR
SCHEMBL29907526 0.75 ADORA2A (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL22552131 0.75 ADORA2A (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL22551815 0.73 ADORA2A (0.36) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL29907633 0.73 ADORA2A (0.36) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL17778186 0.73 ADORA2A (0.39) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL17768753 0.71 CNR1 (0.49) KMT2AMEN1

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-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 — — CN disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 — — CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 — — CN disclosed
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