SCHEMBL20960001

SCHEMBL20960001

CC1(C)OC(O)(c2ccc3c(N)ncnn23)[C@H](OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 8/20 0.38
▸ RIPK1 Q13546 6/20 0.35
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ NTRK2 Q16620 1/20 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
SCHEMBL19101788 0.88 TNK2 (0.38) TNK2RIPK1
SCHEMBL23818461 0.86 TNK2 (0.34) TNK2RIPK1
SCHEMBL25853408 0.86 TNK2 (0.34) TNK2RIPK1
SCHEMBL18371668 0.86 TNK2 (0.38) TNK2RIPK1
SCHEMBL16708501 0.86 TNK2 (0.38) TNK2RIPK1
SCHEMBL25852186 0.85 TNK2 (0.35) TNK2RIPK1NTRK1NTRK2
SCHEMBL25852255 0.85 TNK2 (0.35) TNK2RIPK1NTRK1NTRK2
SCHEMBL18371662 0.83 TNK2 (0.35) TNK2RIPK1NTRK1NTRK2
SCHEMBL10120675 0.83 TNK2 (0.35) TNK2RIPK1NTRK1NTRK2
SCHEMBL10120838 0.83 TNK2 (0.35) TNK2RIPK1NTRK1NTRK2

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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