SCHEMBL25467700

SCHEMBL25467700

O=C(Cc1cncnc1)NCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 1/20 0.37
PTPRZ1 P23471 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
JAK1 P23458 1/20 0.36
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35

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
SCHEMBL16891683 0.77 GAA (0.39) L3MBTL1GAALMNACYP1A2CYP3A4
SCHEMBL25467702 0.76 GAA (0.39) GAALMNAPOLBCYP1A2CYP3A4
SCHEMBL4650850 0.75 NAMPT (0.43) L3MBTL1LMNALOXL2
SCHEMBL25434734 0.74 HDAC6 (0.52) CYP1A2CYP3A4CYP2C9KDM4ESMN1; SMN2
SCHEMBL17298901 0.73 LMNA (0.44) L3MBTL1GAALMNAPOLBKDM4E
SCHEMBL4482901 0.72 LMNA (0.64) LMNAPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL16994745 0.72 KMT2A (0.59) L3MBTL1GAALMNAPOLBSMN1; SMN2
SCHEMBL21178388 0.72 PTPRZ1 (0.46) L3MBTL1GAALMNAPOLBKDM4E
SCHEMBL12471510 0.72 TACR1 (0.58) LMNAMAPT
SCHEMBL12471980 0.72 SMN1; SMN2 (0.47) L3MBTL1GAALMNAPOLBCYP1A2

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-2023078238-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (CN) 2023-05-11 WO disclosed