SCHEMBL20959998

SCHEMBL20959998

CO[C@@](C)(N)[C@@H](O)[C@@H](F)c1ccc2c(N)ncnn12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.33
▸ ACVRL1 P37023 2/20 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
SCHEMBL22096275 0.79 RIPK1 (0.32) RIPK1ACVRL1
SCHEMBL21283655 0.75 RIPK1 (0.35) RIPK1ACVRL1
SCHEMBL12392887 0.70 RET (0.41) RIPK1ACVRL1
SCHEMBL5141048 0.70 RIPK1 (0.40) RIPK1ACVRL1
SCHEMBL22096280 0.70 RIPK1 (0.33) RIPK1ACVRL1
SCHEMBL24239192 0.69 MAP4K4 (0.40) RIPK1ACVRL1
SCHEMBL26825490 0.68 MAP4K4 (0.39) RIPK1ACVRL1
SCHEMBL25013926 0.68 RIPK1 (0.41) RIPK1ACVRL1
SCHEMBL26381654 0.68 RIPK1 (0.41) RIPK1ACVRL1
SCHEMBL18214622 0.68 ACVRL1 (0.34) RIPK1ACVRL1

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-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 — — EP disclosed
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