SCHEMBL26858873

SCHEMBL26858873

CC[C@H](CNC(C)(C)C)c1cccc(NC2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ MALT1 Q9UDY8 2/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PIM1 P11309 2/20 0.31
▸ FLT3 P36888 2/20 0.31
▸ PIM2 Q9P1W9 2/20 0.31
▸ CCNT1 O60563 4/20 0.31
▸ CDK9 P50750 4/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CDK14 O94921 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CCNE1 P24864 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
SCHEMBL22493237 0.95 CTSK (0.41) ADRB1CTSKCYP1A2CYP2D6LMNA
SCHEMBL22493356 0.84 ADRB1 (0.39) ADRB1CTSKMALT1CYP1A2MERTK
SCHEMBL22481230 0.83 ADRB1 (0.56) ADRB1CTSKMALT1CYP1A2CYP3A4
SCHEMBL22481138 0.83 ADRB1 (0.56) ADRB1CTSKMALT1CYP1A2CYP3A4
SCHEMBL22481314 0.79 ADRB1 (0.54) ADRB1CTSKCYP1A2CYP3A4CYP2D6
SCHEMBL22481122 0.79 ADRB1 (0.54) ADRB1CTSKCYP1A2CYP3A4CYP2D6
SCHEMBL22481296 0.79 ADRB1 (0.54) ADRB1CTSKCYP1A2CYP3A4CYP2D6
SCHEMBL22481295 0.79 ADRB1 (0.54) ADRB1CTSKCYP1A2CYP3A4CYP2D6
SCHEMBL22481164 0.72 ADRB1 (0.55) ADRB1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL22481308 0.71 ADRB1 (0.54) ADRB1CYP3A4CYP2D6LMNAHIF1A

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-2024137506-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
WO-2023225021-A1 COMPOSITIONS AND METHODS FOR TREATING PATIENTS WITH AMYOTROPHIC LATERAL SCLEROSIS (ALS) CURASEN THERAPEUTICS, INC. (US) 2023-11-23 — — WO disclosed
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