SCHEMBL30290887

SCHEMBL30290887

Nc1cc(Nc2cccc(C(=O)Nc3cc(Nc4ccncc4)ccn3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ ACVRL1 P37023 2/20 0.51
▸ BRAF P15056 12/20 0.50
▸ JAK2 O60674 2/20 0.48
▸ TYK2 P29597 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NT5E P21589 1/20 0.47

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
SCHEMBL24010281 1.00 MAPK8 (0.52) MAPK8MAPK10ACVRL1BRAFJAK2
SCHEMBL25821615 0.90 ACVRL1 (0.54) ACVRL1BRAFPOLBMAPT
SCHEMBL30290823 0.88 BRAF (0.49) ACVRL1BRAFMAPTNT5E
SCHEMBL24010134 0.88 BRAF (0.49) ACVRL1BRAFMAPTNT5E
SCHEMBL24006426 0.88 ACVRL1 (0.53) MAPK8MAPK10ACVRL1BRAFJAK2
SCHEMBL24010533 0.85 JAK2 (0.55) BRAFJAK2TYK2POLB
SCHEMBL30290828 0.85 JAK2 (0.55) BRAFJAK2TYK2POLB
SCHEMBL24010215 0.85 KCNK3 (0.58) BRAFJAK2TYK2POLBMAPT
SCHEMBL24003832 0.84 POLB (0.61) JAK2TYK2POLBMAPT
SCHEMBL24006101 0.84 POLB (0.61) JAK2TYK2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996721-A AKT3 modulators 乔治穆内有限责任公司 2023-04-21 — — CN disclosed
EP-4146212-A1 AKT3 MODULATORS Georgiamune LLC (US) 2023-03-15 — — EP disclosed
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