SCHEMBL30804528

SCHEMBL30804528

CN1CCN(CCNc2n[nH]c3ccncc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.45
▸ MAPK10 P53779 1/20 0.42
▸ EGFR P00533 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ PGK1 P00558 1/20 0.39
▸ DYRK1A Q13627 6/20 0.39
▸ WNT1 P04628 5/20 0.39
▸ TLR9 Q9NR96 2/20 0.38
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37

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
SCHEMBL30804510 0.88 CDC7 (0.51) EGFRMAPK1CDC7DYRK1AWNT1
SCHEMBL27092617 0.77 KAT2B (0.42) KAT2BEGFRPGK1TLR9
SCHEMBL27199808 0.76 PGK1 (0.40) KAT2BEGFRPGK1TLR9SLC2A1
SCHEMBL31356297 0.76 CHEK1 (0.44) KAT2BEGFRPGK1TLR9
SCHEMBL10830932 0.75 MAPK10 (0.56) KAT2BMAPK10SLC2A1
SCHEMBL20901592 0.72 GRM4 (0.42) MAPK1
SCHEMBL11147779 0.72 KAT2B (0.54) KAT2BMAPK10CDC7
SCHEMBL10831286 0.72 KAT2B (0.54) KAT2BMAPK10CDC7
SCHEMBL31485516 0.72 CHEK1 (0.40) KAT2BEGFRPGK1TLR9SLC2A1
Hydrochloric Acid SCHEMBL10831715 0.71 KAT2B (0.53) KAT2BMAPK10CDC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583977-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-07-16 — — EP disclosed
WO-2024052512-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 — — WO disclosed
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