SCHEMBL22201265

SCHEMBL22201265

CC(C)(C)OC(=O)N1CC=C(c2nc(Nc3ccc4[nH]ccc4c3)c3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 1/20 0.53
▸ TGFBR1 P36897 1/20 0.50
▸ JAK1 P23458 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ GRM5 P41594 6/20 0.44
▸ GRM1 Q13255 6/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41

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
SCHEMBL22201444 0.88 ROCK2 (0.55) TGFBR1ABCG2GRM5GRM1NAMPT
SCHEMBL5001675 0.79 CCNT1 (0.49) JAK1CNR1GABRPGABRDGABRA1
SCHEMBL31471912 0.78 CDK7 (0.57) JAK1
SCHEMBL5001670 0.77 HTR6 (0.44) TGFBR1JAK1GRM5GRM1NAMPT
SCHEMBL19838779 0.76 JAK1 (0.52) TGFBR1JAK1GRM5GRM1NAMPT
SCHEMBL14520510 0.74 CDK9 (0.48) JAK1NAMPTCNR1GABRPGABRD
SCHEMBL14500619 0.74 CDK9 (0.48) JAK1GRM5GRM1NAMPTCNR1
SCHEMBL22467649 0.73 JAK1 (0.50) JAK1GRM5GRM1NAMPTPDE10A
SCHEMBL30593499 0.73 JAK1 (0.50) JAK1GRM5GRM1NAMPTPDE10A
SCHEMBL5522323 0.73 PRKCQ (0.58) JAK1

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 — — WO disclosed
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