SCHEMBL31474530

SCHEMBL31474530

NC(=O)c1ncc(C2CCC2)nc1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SYK P43405 2/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PRKD1 Q15139 4/20 0.38
PRKD2 Q9BZL6 4/20 0.38
ADRB1 P08588 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRKD3 O94806 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
EGFR P00533 2/20 0.35
LCK P06239 2/20 0.35
JAK3 P52333 2/20 0.35
BTK Q06187 1/20 0.35
ATR Q13535 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PARP1 P09874 3/20 0.34

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
SCHEMBL2351827 0.74 CHRNB2 (0.41) HRH4CHRNB2CHRNA4PRKD1PRKD2
SCHEMBL4060441 0.72 HTR2C (0.43) CHRNB2CHRNA4
SCHEMBL31398108 0.72 CHRNB2 (0.48) SYKCHRNB2CHRNA4
SCHEMBL26136470 0.71 IKBKB (0.39) HRH4CHRNB2CHRNA4PRKD1PRKD2
SCHEMBL19581178 0.70 HTR2C (0.46) SYKPRKD1PRKD2ADRB1PRKD3
SCHEMBL11678873 0.70 ATR (0.46) SYKJAK3BTKATR
SCHEMBL24984228 0.69 LMNA (0.40) HRH4HRH3PRKD1PRKD2KCNH2
SCHEMBL31185490 0.69 LMNA (0.40) HRH4HRH3PRKD1PRKD2KCNH2
SCHEMBL28699019 0.68 ACVR1 (0.44) CHRNB2CHRNA4ADRB1IRAK4
Hydrochloric Acid SCHEMBL28856268 0.66 PLAU (0.43) KCNH2JAK3

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
CN-119403551-A Small molecule inhibitors of TEA domain family members 斯克里普斯研究学院 2025-02-07 CN disclosed