SCHEMBL31226682

SCHEMBL31226682

CC(C)NCc1cncc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45
▸ DYRK1A Q13627 1/20 0.39
▸ MAP4K4 O95819 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DDO Q99489 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ ITGB1 P05556 1/20 0.30
▸ ITGA5 P08648 1/20 0.30
▸ NOS1 P29475 2/20 0.30
▸ NOS2 P35228 2/20 0.30
▸ PARP1 P09874 2/20 0.30

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
SCHEMBL27113640 0.81 KCNH2 (0.45) KCNH2DYRK1AMAP4K4SLC2A1NOS1
SCHEMBL20069151 0.79 KCNH2 (0.46) KCNH2DYRK1AALDH1A1
SCHEMBL13279624 0.79 NOS1 (0.43) DYRK1AKDM4EMEN1ALDH1A1LMNA
SCHEMBL18252807 0.78 KCNH2 (0.45) KCNH2DYRK1A
SCHEMBL17827395 0.78 KCNH2 (0.45) KCNH2DYRK1AALDH1A1SLC2A1PARP1
SCHEMBL13428824 0.78 KCNH2 (0.55) KCNH2DYRK1AMAP4K4NOS1
SCHEMBL31226701 0.76 KDR (0.35) DYRK1AKDM4EMEN1ALDH1A1LMNA
SCHEMBL14478360 0.75 KCNH2 (0.43) KCNH2DYRK1AKDM4EMEN1ALDH1A1
SCHEMBL24533969 0.75 NOS1 (0.36) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL6641420 0.74 KCNH2 (0.40) KCNH2DYRK1AMAP4K4SLC2A1PARP1

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-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 — — EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 — — WO disclosed
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