SCHEMBL26958759

SCHEMBL26958759

Cc1cncnc1NC=N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 11/20 0.39
▸ CYP3A4 P08684 11/20 0.39
▸ CYP2D6 P10635 9/20 0.39
▸ CYP2C19 P33261 7/20 0.36
▸ TSHR P16473 6/20 0.36
▸ ALDH1A1 P00352 4/20 0.33
▸ ALOX15 P16050 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPK1 P28482 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL11287500 0.80 CYP3A4 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL13225322 0.74 — —
SCHEMBL27953451 0.72 — —
SCHEMBL18708803 0.72 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL16091003 0.69 KDM4E (0.42) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL13539868 0.68 — —
SCHEMBL15006469 0.68 CYP3A4 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL18360739 0.68 CYP3A4 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
Hydrochloric Acid SCHEMBL28570575 0.67 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6
SCHEMBL19788613 0.67 GALR3 (0.33) MEN1KMT2A

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
WO-2023239097-A1 HOMOGENEOUS ORGANIC COMPLEX FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 솔루스첨단소재 주식회사 2023-12-14 — — WO disclosed
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