SCHEMBL25422650

SCHEMBL25422650

CCCOc1ccnc2[nH]cc(I)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.57
CCNT1 O60563 7/20 0.57
CDK9 P50750 7/20 0.57
CDK5R1 Q15078 7/20 0.57
CDK2 P24941 7/20 0.57
CCNA2 P20248 6/20 0.57
CCNA1 P78396 6/20 0.57
IKBKB O14920 1/20 0.39
TRPA1 O75762 1/20 0.39
CHEK1 O14757 2/20 0.38
ROCK2 O75116 7/20 0.35
ROCK1 Q13464 7/20 0.35
CDC42BPB Q9Y5S2 6/20 0.35
MAP3K7 O43318 1/20 0.34
TAB1 Q15750 1/20 0.34
CDC42BPA Q5VT25 3/20 0.34
JAK2 O60674 1/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHUK O15111 1/20 0.34

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
SCHEMBL31472565 1.00 CDK5 (0.57) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL31499103 0.81 CCNT1 (0.55) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL1044715 0.81 CCNT1 (0.55) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL2994099 0.77 CCNT1 (0.53) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL16932962 0.77 CCNT1 (0.56) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL14837368 0.77 JAK2 (0.44) MAP3K7TAB1JAK2MAPK1DYRK1A
SCHEMBL25644357 0.75 CCNT1 (0.51) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL2998522 0.74 CCNT1 (0.73) CDK5CCNT1CDK9CDK5R1CDK2
SCHEMBL29941422 0.74 CCNT1 (0.73) CDK5CCNT1CDK9CDK5R1CDK2
Meriolin 5 SCHEMBL2997013 0.73 CDK5 (1.00) CDK5CCNT1CDK9CDK5R1CDK2

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
EP-4444721-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
WO-2023107722-A1 COMPOUNDS FOR USE IN TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed