SCHEMBL31516360

SCHEMBL31516360

CN1CCN(c2nc3c(c(=O)[nH]2)CCN(C(=O)OC(C)(C)C)CC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 6/20 0.52
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ TNKS O95271 5/20 0.43
▸ TNKS2 Q9H2K2 5/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ DCTPP1 Q9H773 2/20 0.41

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
SCHEMBL31516368 0.91 SPR (0.56) SPRPOLBHPGDTNKSTNKS2
SCHEMBL22999576 0.78 SPR (0.47) SPRTNKS2PARP2ADORA1MAPT
SCHEMBL22999917 0.77 SPR (0.46) SPRTNKS2PARP2ADORA1MAPT
SCHEMBL16711597 0.77 TNKS (0.53) TNKSTNKS2
SCHEMBL1081986 0.75 HPGD (0.75) SPRPOLBHPGDTNKSTNKS2
SCHEMBL31516387 0.75 MTHFD2 (0.57) SPRTNKS2PARP2
SCHEMBL1622066 0.74 SPR (0.46) SPRTNKS2PARP2MAPT
SCHEMBL1622628 0.73 HTR2C (0.56) SPRTNKS2PARP2KMT2A
SCHEMBL2456754 0.73 SPR (0.46) SPRTNKS2PARP2ADORA1MAPT
SCHEMBL13250475 0.73 PARP1 (0.51) SPRTNKS2PARP2ADORA2AADORA1

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
WO-2025076226-A1 FUSED HETEROCYCLES FOR TREATING NEURODEGENERATIVE DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-04-10 — — WO disclosed
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