SCHEMBL22424334

SCHEMBL22424334

CC(C)Nc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ MTHFD2 P13995 3/20 0.46
▸ PRLHR P49683 7/20 0.40
▸ MAPK1 P28482 3/20 0.39
▸ CXCR2 P25025 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CLPP Q16740 1/20 0.39

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
SCHEMBL24275996 0.89 PRLHR (0.43) MTHFD2PRLHR
SCHEMBL22424705 0.89 MTHFD2 (0.45) HPGDMTHFD2PRLHRMAPK1PKM
SCHEMBL22424053 0.84 MTHFD2 (0.52) HPGDMTHFD2PKM
SCHEMBL24276008 0.83 P2RX7 (0.39) PRLHRMAPK1
SCHEMBL22423998 0.81 CLPP (0.60) HPGDMTHFD2PKMCLPP
SCHEMBL22424504 0.81 PRLHR (0.41) MTHFD2PRLHRMAPK1CLPP
SCHEMBL22424063 0.81 MTHFD2 (0.50) HPGDMTHFD2PKMRXFP1
SCHEMBL22423967 0.81 P2RX7 (0.41) HPGD
SCHEMBL22424333 0.80 CLPP (0.54) HPGDPRLHRCLPP
SCHEMBL22410805 0.76 PRLHR (0.41) HPGDPRLHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO disclosed
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