SCHEMBL30359459

SCHEMBL30359459

Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4F)nc(N)c4nnnn34)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ CSNK1A1 P48729 2/20 0.38
▸ CSNK1D P48730 2/20 0.38
▸ MINK1 Q8N4C8 2/20 0.38
▸ PRKD2 Q9BZL6 2/20 0.38
▸ MAP4K5 Q9Y4K4 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CSNK1G2 P78368 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL25230127 1.00 MAP4K4 (0.38) MAP4K4MAPK9CSNK1A1CSNK1DMINK1
SCHEMBL25206204 0.90 MAPK14 (0.40) MAP4K4KDM4ENPC1HCRTR1USP2
SCHEMBL30359478 0.90 MAPK14 (0.40) MAP4K4KDM4ENPC1HCRTR1USP2
SCHEMBL25205150 0.83 MAPK1 (0.41) MAP4K4KDM4ENPC1HCRTR1USP2
SCHEMBL25238696 0.83 ALDH1A1 (0.40) MAP4K4PRKD3GSK3AGSK3BAURKB
SCHEMBL30359461 0.83 ALDH1A1 (0.40) MAP4K4PRKD3GSK3AGSK3BAURKB
SCHEMBL25206143 0.82 KDM4E (0.38) MAP4K4KDM4ENPC1HCRTR1USP2
SCHEMBL30359474 0.82 KDM4E (0.38) MAP4K4KDM4ENPC1HCRTR1USP2
SCHEMBL25528944 0.81 KDM4E (0.36) MAP4K4MAPK9CSNK1A1CSNK1DMINK1
SCHEMBL25255165 0.80 MAP4K4 (0.40) MAP4K4KDM4ENPC1HCRTR1USP2

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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