SCHEMBL20687639

SCHEMBL20687639

CNc1cccn(C2CCN(C)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.48
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ IDH1 O75874 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ CAMK2B Q13554 1/20 0.36
▸ CAMK2G Q13555 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ CAMK2A Q9UQM7 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36

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
SCHEMBL22272836 0.86 TYK2 (0.49) TYK2IDH1
SCHEMBL21227355 0.84 TYK2 (0.41) TYK2IDH1CHRM2CHRM3PRKCG
SCHEMBL20687702 0.83 TYK2 (0.50) TYK2
SCHEMBL20687697 0.83 TYK2 (0.46) TYK2
SCHEMBL20687700 0.83 TYK2 (0.47) TYK2IDH1
SCHEMBL21258453 0.82 TYK2 (0.51) TYK2ADRA1AHRH1ADRA1B
SCHEMBL21227356 0.82 TYK2 (0.51) TYK2ADRA1AHRH1ADRA1B
SCHEMBL20688117 0.82 TYK2 (0.51) TYK2ADRA1AHRH1ADRA1B
SCHEMBL20689573 0.82 TYK2 (0.45) TYK2CYP1A2CHRM3
SCHEMBL20687669 0.81 TYK2 (0.48) TYK2IDH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 — — WO disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 — — WO disclosed
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