SCHEMBL19480652

SCHEMBL19480652

C=NCc1nc(Cc2ccccc2F)n2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 5/20 0.46
GUCY1B1 Q02153 5/20 0.46
KCNH2 Q12809 2/20 0.46
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ADCY10 Q96PN6 1/20 0.32

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
SCHEMBL13739532 0.78 GUCY1A1 (0.48) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
SCHEMBL13738365 0.75 GUCY1A1 (0.46) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
SCHEMBL14754744 0.73 GUCY1A1 (0.51) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
SCHEMBL15693415 0.72 GUCY1A1 (0.62) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
SCHEMBL13737905 0.71 GUCY1A1 (0.67) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL13737969 0.71 GUCY1A1 (0.66) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
SCHEMBL13738008 0.71 GUCY1A1 (0.48) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
SCHEMBL20140419 0.70 GUCY1A1 (0.37) GUCY1A1GUCY1B1KCNH2MEN1KMT2A
SCHEMBL13738580 0.70 PDE10A (0.40) GUCY1A1GUCY1B1KCNH2ALDH1A1KDM4E
SCHEMBL13738267 0.69 GUCY1A1 (0.47) GUCY1A1GUCY1B1KCNH2MEN1KMT2A

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-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed