SCHEMBL24467554

SCHEMBL24467554

C=CCn1c(NC(C)(C)N(CC)NC)nc2cc(C(N)=O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ JAK2 O60674 8/20 0.41
▸ JAK1 P23458 8/20 0.41
▸ TYK2 P29597 8/20 0.41
▸ JAK3 P52333 8/20 0.41
▸ STING1 Q86WV6 5/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL19448908 0.81 PTGER4 (0.55) PTGER4KMT2ANPC1RAB9ARXFP1
SCHEMBL19436552 0.74 PTGER4 (0.56) PTGER4KMT2AJAK2JAK1TYK2
Bromide SCHEMBL29619880 0.73 PTGER4 (0.55) PTGER4KMT2AJAK2JAK1TYK2
Bromide SCHEMBL28608182 0.73 PTGER4 (0.55) PTGER4KMT2AJAK2JAK1TYK2
SCHEMBL19436565 0.71 PTGER4 (0.55) PTGER4KMT2AJAK2JAK1TYK2
SCHEMBL19436572 0.70 STING1 (0.78) NPC1RAB9ARXFP1STING1TBK1
SCHEMBL24175826 0.70 STING1 (0.65) PTGER4KMT2ANPC1RAB9ARXFP1
SCHEMBL21648038 0.70 NPC1 (0.57) PTGER4KMT2ANPC1RAB9ARXFP1
SCHEMBL20075465 0.70 STING1 (0.55) PTGER4KMT2ANPC1RAB9ARXFP1
SCHEMBL24175617 0.70 PTGER4 (0.46) PTGER4KMT2ANPC1RAB9ARXFP1

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-3440076-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-06-01 — — EP disclosed
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