SCHEMBL30359463

SCHEMBL30359463

Cc1ccnc2ccc(-c3c(-c4cccc(Cl)c4)nc(N)c4nnnn34)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 7/20 0.42
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ TGFBR1 P36897 3/20 0.38
▸ TGFBR2 P37173 1/20 0.38

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
SCHEMBL25231898 1.00 MAP4K4 (0.42) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL25206143 0.91 KDM4E (0.38) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL30359474 0.91 KDM4E (0.38) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL30359460 0.88 KDR (0.41) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL25251378 0.88 KDR (0.41) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL25205150 0.86 MAPK1 (0.41) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL30359472 0.86 MAP4K4 (0.44) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL25230789 0.86 MAP4K4 (0.44) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL25238696 0.86 ALDH1A1 (0.40) MAP4K4MAPTKDM4ENPC1HCRTR1
SCHEMBL30359461 0.86 ALDH1A1 (0.40) MAP4K4MAPTKDM4ENPC1HCRTR1

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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