SCHEMBL24484685

SCHEMBL24484685

Cc1cnnn1-c1ccc(-n2c(=O)c3c(n4ncc(Cc5cccc(Cc6ncnn6-c6ccc(-n7c(=O)c8c(n9ncc(Cc%10ccccc%10)c79)CN(C(=O)c7ccc(Br)c(C(F)(F)F)c7)CC8)cc6)c5)c24)CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)CC3)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H2 P55055 3/20 0.31
NR1H3 Q13133 3/20 0.31
TIPARP Q7Z3E1 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL24470059 0.94 P2RX7 (0.32) TSHRNR1H2NR1H3P2RX7
SCHEMBL24484050 0.89
SCHEMBL24469799 0.89 P2RX7 (0.34) TSHRRAB9ANR1H2NR1H3P2RX7
SCHEMBL24484702 0.89
SCHEMBL26841996 0.86 P2RX7 (0.33) NR1H2NR1H3P2RX7
SCHEMBL24483821 0.83 SCD (0.34) NR1H2NR1H3P2RX7
SCHEMBL24484039 0.82 MTHFD2 (0.30)
SCHEMBL24469803 0.81 NR1H2 (0.32) NR1H2NR1H3P2RX7
SCHEMBL26841980 0.81 NR1H2 (0.33) NR1H2NR1H3P2RX7
SCHEMBL26841995 0.81 NR1H2 (0.33) NR1H2NR1H3P2RX7

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-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed