SCHEMBL29915107

SCHEMBL29915107

O=c1[nH]nc(CO)c2cc(Br)cc(C(F)F)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ PRMT5 O14744 5/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ WDR77 Q9BQA1 4/20 0.33
▸ PARP1 P09874 1/20 0.31
▸ CHEK1 O14757 1/20 0.30

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
SCHEMBL27002205 1.00 ADORA1 (0.42) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL27002284 0.86 PRMT5 (0.35) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL29915079 0.86 PRMT5 (0.35) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL23087910 0.79 ADORA1 (0.53) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL23087259 0.79 ADORA1 (0.44) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL23087512 0.79 ADORA1 (0.44) ADORA1PDE1APDE1BPDE3BPDE1C
SCHEMBL27002509 0.78 JAK1 (0.34) JAK1
SCHEMBL29915208 0.78 PRMT5 (0.64) PRMT5WDR77PARP1
SCHEMBL27002267 0.78 PRMT5 (0.64) PRMT5WDR77PARP1
SCHEMBL31496948 0.77 ADORA1 (0.41) ADORA1PDE1APDE1BPDE3BPDE1C

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-4304720-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022192745-A1 MTA-COOPERATIVE PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-09-15 — — WO disclosed
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