SCHEMBL27329663

SCHEMBL27329663

CNc1cc2n(n1)CCNCC2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MAP4K1 Q92918 1/20 0.31
LRRK2 Q5S007 1/20 0.30
HTR2B P41595 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
SCHEMBL20053916 0.85 PDCD1 (0.44) HTR2CHTR2APDCD1CD274MAP4K1
SCHEMBL26549023 0.79 NUDT1 (0.34)
SCHEMBL27329671 0.77 PDCD1 (0.37) HTR2CHTR2APDCD1CD274
SCHEMBL20460995 0.75 PDCD1 (0.36) PDCD1CD274MAP4K1LRRK2
SCHEMBL26495272 0.75 HTR2C (0.35) HTR2CHTR2APDCD1CD274HTR2B
SCHEMBL24417833 0.74 HTR2C (0.37) HTR2CHTR2APDCD1CD274
SCHEMBL20517214 0.74 HTR2C (0.37) HTR2CHTR2APDCD1CD274
SCHEMBL25594644 0.73 GRM5 (0.40) HTR2CHTR2APDCD1CD274HTR2B
SCHEMBL27054804 0.69 ROCK2 (0.39) LRRK2
SCHEMBL21017741 0.68 PDCD1 (0.41) HTR2CHTR2APDCD1CD274

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-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 WO disclosed