SCHEMBL25428535

SCHEMBL25428535

CN1CCC(c2nc3c(-c4cn(C)c5cnccc45)ccnc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ IKBKE Q14164 1/20 0.45
▸ TBK1 Q9UHD2 1/20 0.45
▸ DYRK1A Q13627 3/20 0.44
▸ DYRK1B Q9Y463 2/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ DYRK4 Q9NR20 1/20 0.44
▸ CDK9 P50750 12/20 0.43
▸ CCNT1 O60563 9/20 0.43
▸ NFATC1 O95644 1/20 0.43
▸ GSK3B P49841 1/20 0.43

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
SCHEMBL30381702 1.00 PDPK1 (0.45) PDPK1TGFBR1IKBKETBK1DYRK1A
SCHEMBL25858983 0.80 CDK9 (0.67) CDK9CCNT1
SCHEMBL31380019 0.80 CDK9 (0.67) CDK9CCNT1
SCHEMBL30381661 0.73 PARP1 (0.44) CDK9CCNT1PARP1
SCHEMBL25305073 0.73 PARP1 (0.44) CDK9CCNT1PARP1
SCHEMBL30769931 0.69 PARP1 (0.41) CDK9CCNT1PARP1
SCHEMBL27035288 0.69 PARP1 (0.41) CDK9CCNT1PARP1
SCHEMBL27058302 0.69 PARP1 (0.44) CDK9CCNT1PARP1
SCHEMBL27059126 0.68 CCNT1 (0.43) CDK9CCNT1PARP1
SCHEMBL30769916 0.68 PARP1 (0.40) CDK9CCNT1PARP1

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
WO-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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