SCHEMBL20960029

SCHEMBL20960029

Nc1ncnn2c([C@@H]3O[C@@]4(COCc5ccccc5)C[C@]4(OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ DOT1L Q8TEK3 1/20 0.31
▸ TNK2 Q07912 2/20 0.31

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
SCHEMBL24736765 0.80 POLRMT (0.36) POLRMTDOT1L
SCHEMBL24737136 0.80 POLRMT (0.36) POLRMTDOT1L
SCHEMBL25853155 0.80 POLRMT (0.38) POLRMTDOT1LTNK2
SCHEMBL25300989 0.80 POLRMT (0.38) POLRMTDOT1LTNK2
SCHEMBL25254465 0.80 POLRMT (0.38) POLRMTDOT1LTNK2
SCHEMBL19101790 0.79 POLRMT (0.36) POLRMTDOT1LTNK2
SCHEMBL24736798 0.77 POLRMT (0.34) POLRMTDOT1LTNK2
SCHEMBL24736764 0.76 POLRMT (0.35) POLRMTDOT1LTNK2
SCHEMBL16701318 0.75 POLRMT (0.35) POLRMT
SCHEMBL19779069 0.75 DOT1L (0.35) POLRMTDOT1LTNK2

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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