SCHEMBL25259210

SCHEMBL25259210

Clc1nc(-c2ccncc2)c2[nH]nc(Br)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ MAPK13 O15264 8/20 0.34
▸ MAPK12 P53778 8/20 0.34
▸ MAPK11 Q15759 8/20 0.34
▸ MAPK14 Q16539 8/20 0.34
▸ GCGR P47871 6/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL31230008 1.00 PDE1A (0.39) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL26315307 0.76 GCGR (0.34) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL31230019 0.72 PIK3CA (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL25214678 0.72 PIK3CA (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL25267720 0.69 CLK1 (0.38) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL25626407 0.67 MAPK1 (0.41) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL31230009 0.67 MAPK1 (0.41) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL3116382 0.61 HTT (0.55) MAPK9KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL18058368 0.61 MAPT (0.43) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL3465338 0.61 DAO (0.38) KDM4EALDH1A1LMNAHPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444317-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 — — EP disclosed
WO-2023107623-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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