SCHEMBL9470809

SCHEMBL9470809

Nc1c(Cl)ncnc1NC1CC(CO)C1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
MAPT P10636 7/20 0.38
GAA P10253 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GALR3 O60755 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HTT P42858 4/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
IRAK4 Q9NWZ3 5/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
BTK Q06187 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 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
SCHEMBL9323869 0.88 RAB9A (0.38) RAB9AMAPTGAARXFP1GALR3
SCHEMBL1800304 0.85 IRAK4 (0.47) IRAK4
SCHEMBL11159094 0.85 IRAK4 (0.47) IRAK4
SCHEMBL9873160 0.82 RAB9A (0.39) RAB9AMAPTGAARXFP1GALR3
SCHEMBL22787468 0.80 NAE1 (0.42) RAB9AMAPTGAARXFP1GALR3
SCHEMBL22787540 0.80 NAE1 (0.42) RAB9AMAPTGAARXFP1GALR3
SCHEMBL22787550 0.80 NAE1 (0.42) RAB9AMAPTGAARXFP1GALR3
SCHEMBL9470156 0.80 IRAK4 (0.43) IRAK4
SCHEMBL9772493 0.80 IRAK4 (0.43) IRAK4
SCHEMBL17213486 0.78 RAB9A (0.33) RAB9AMAPTGAARXFP1GALR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246931-A Triazine-substituted cyclobutane derivatives; viricides; side effect reduction BRISTOL-MYERS SQUIBB COMPANY (US) 1993-09-21 US disclosed
US-5153352-A Viricides and antitumor agent BRISTOL-MYERS SQUIBB COMPANY (US) 1992-10-06 US disclosed
EP-0366059-A2 Carbocyclic nucleoside analogs BRISTOL-MYERS SQUIBB COMPANY (US) 1990-05-02 EP disclosed