SCHEMBL31493104

SCHEMBL31493104

N#Cc1cnc(-c2ccc(Cl)nc2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.45
▸ HTT P42858 1/20 0.39
▸ MAP4K4 O95819 4/20 0.37
▸ AR P10275 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ GRM5 P41594 3/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ EGLN2 Q96KS0 3/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ HPGDS O60760 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
SCHEMBL17672802 0.76 PIK3CD (0.45) PIK3CDMAP4K4AREGLN2
SCHEMBL1744144 0.73 PIK3CD (0.52) PIK3CDMAP4K4ARCYP11B2CYP2A6
SCHEMBL27252329 0.72 TNF (0.40) HTTGRM5
SCHEMBL30212370 0.72 — —
SCHEMBL75830 0.72 — —
SCHEMBL2012814 0.71 GRM5 (0.49) PIK3CDHTTARGRM5CYP2A6
SCHEMBL22207146 0.71 HTT (0.50) PIK3CDHTTMAP4K4GRM5EGLN2
Methane SCHEMBL27716533 0.69 L3MBTL1 (0.43) PIK3CDARGRM5CYP2A6EGLN2
SCHEMBL17629999 0.69 EGLN2 (0.44) PIK3CDMAP4K4ARCYP11B2GRM5
SCHEMBL17672660 0.68 MEN1 (0.43) PIK3CDMAP4K4ARCYP11B2GRM5

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-119894879-A Tyrosine kinase 2 inhibitors and uses thereof 渤健马萨诸塞州股份有限公司 2025-04-25 — — CN disclosed
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