SCHEMBL30359464

SCHEMBL30359464

Cc1ccnc2ccc(-c3c(-c4ccc(C#N)cc4)nc(N)c4nnnn34)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.39
▸ MAPKAPK2 P49137 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ KDM1A O60341 1/20 0.34

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
SCHEMBL25235560 1.00 MAP4K4 (0.39) MAP4K4MAPKAPK2KDM4EALDH1A1HPGD
SCHEMBL25230789 0.92 MAP4K4 (0.44) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30359472 0.92 MAP4K4 (0.44) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25205150 0.88 MAPK1 (0.41) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30359474 0.87 KDM4E (0.38) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30359478 0.87 MAPK14 (0.40) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25206143 0.87 KDM4E (0.38) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25206204 0.87 MAPK14 (0.40) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25255165 0.86 MAP4K4 (0.40) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30359483 0.86 MAP4K4 (0.40) MAP4K4KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4433485-A1 ADENOSINE RECEPTOR ANTAGONISTS Crossignal Therapeutics, Inc. (US) 2024-09-25 — — EP claimed
WO-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 — — WO claimed
EP-4433485-A1 ADENOSINE RECEPTOR ANTAGONISTS Crossignal Therapeutics, Inc. (US) 2024-09-25 — — EP disclosed
WO-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 — — WO disclosed
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