SCHEMBL4635524

SCHEMBL4635524

CN1CCC(Nc2nc3nc[nH]c(=O)c3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.44
KCNH2 Q12809 5/20 0.43
NR4A2 P43354 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
EED O75530 2/20 0.42
TP53 P04637 2/20 0.42
HRH1 P35367 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
MLNR O43193 1/20 0.42
CACNA1F O60840 1/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
HLA-A P04439 1/20 0.42

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
SCHEMBL4635252 0.88 KCNH2 (0.57) SSTR5KCNH2NR4A2MEN1KMT2A
SCHEMBL3971451 0.82 GAA (0.40) KCNH2POLBSMN1; SMN2GAAHRH1
SCHEMBL9564924 0.80 KCNH2 (0.47) SSTR5KCNH2NR4A2MEN1KMT2A
SCHEMBL10057014 0.75 P2RX3 (0.56) SSTR5KCNH2NR4A2MEN1KMT2A
SCHEMBL3971456 0.73 HTR6 (0.39) KCNH2NR4A2POLBSMN1; SMN2LMNA
SCHEMBL10529762 0.72 SSTR5 (0.78) SSTR5KCNH2NR4A2MEN1KMT2A
SCHEMBL11480609 0.72 SSTR5 (0.57) SSTR5KCNH2NR4A2MEN1KMT2A
SCHEMBL3970572 0.71 KCNH2 (0.42) KCNH2NR4A2LMNAGAATP53
SCHEMBL9631566 0.70 CYP1A2 (0.50) SSTR5KCNH2NR4A2MEN1KMT2A
SCHEMBL13199901 0.70 POLB (0.50) MEN1KMT2APOLBTP53CYP2D6

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
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP claimed