SCHEMBL30577602

SCHEMBL30577602

CC1(NCc2cc(C(N)=O)nc3cc[nH]c23)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 5/20 0.36
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ IKBKB O14920 2/20 0.31
▸ CHUK O15111 2/20 0.31
▸ GRM2 Q14416 7/20 0.31
▸ PDPK1 O15530 1/20 0.30
▸ MAPK1 P28482 1/20 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
SCHEMBL30540594 0.89 CD38 (0.36) CD38
SCHEMBL30577575 0.87 CD38 (0.35) CD38MAPK1
SCHEMBL30540566 0.85 CD38 (0.35) CD38
SCHEMBL30540620 0.76 LRRK2 (0.33) CD38GRM2
SCHEMBL30521273 0.76 KHK (0.35) CD38
SCHEMBL30540658 0.76 CD38 (0.35) CD38GRM2
SCHEMBL30540469 0.75 KAT2B (0.35) CD38
SCHEMBL30540507 0.75 P2RX7 (0.34) CD38GRM2
SCHEMBL30577625 0.75 P2RX7 (0.34) CD38GRM2
SCHEMBL30577542 0.75 P2RX7 (0.34) CD38GRM2

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-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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