SCHEMBL27318436

SCHEMBL27318436

Cc1ccc2cc(CN3CCCC3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
KCNH2 Q12809 2/20 0.53
CHKA P35790 2/20 0.51
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CASP6 P55212 1/20 0.45
KMT2A Q03164 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
ILK Q13418 1/20 0.44
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL25728287 0.88 CHKA (0.59) HRH3KCNH2CHKACYP1A2LMNA
SCHEMBL31428715 0.87 HRH3 (0.49) HRH3KCNH2CYP1A2SMN1; SMN2HTT
SCHEMBL24694886 0.87 HRH3 (0.47) HRH3KCNH2CYP1A2KMT2A
SCHEMBL30163474 0.84 KMT2A (0.56) HRH3KCNH2CHKACYP1A2ALDH1A1
SCHEMBL27110695 0.81 POLB (0.53) HRH3CHKAALDH1A1POLBSMN1; SMN2
SCHEMBL25727251 0.81 CHKA (0.48) HRH3KCNH2CHKAALDH1A1POLB
SCHEMBL27318964 0.80 ACHE (0.53) HRH3KCNH2CYP1A2POLBKDM4E
SCHEMBL31428837 0.80 HRH3 (0.45) HRH3KCNH2CHKACYP1A2KMT2A
SCHEMBL27953064 0.80 HRH3 (0.50) HRH3CHKAALDH1A1POLBSMN1; SMN2
SCHEMBL25727261 0.80 CHKA (0.47) HRH3CHKAALDH1A1POLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed