SCHEMBL25008210

SCHEMBL25008210

CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 1.00
CCNE2 O96020 15/20 1.00
CCNE1 P24864 15/20 1.00
CDK4 P11802 8/20 1.00
CCND1 P24385 8/20 1.00
CCNB2 O95067 7/20 0.73
CDK1 P06493 7/20 0.73
CCNB1 P14635 7/20 0.73
CCNB3 Q8WWL7 7/20 0.73
CCND3 P30281 4/20 0.73
CCND2 P30279 2/20 0.73
KDR P35968 1/20 0.72
CDK7 P50613 2/20 0.71
CDK9 P50750 2/20 0.71
CCNT1 O60563 1/20 0.71
CCNH P51946 1/20 0.71
MNAT1 P51948 1/20 0.71
CCNA1 P78396 1/20 0.71
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66

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
SCHEMBL18613816 0.90 CDK2 (0.82) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL22056314 0.90 CDK2 (0.81) CDK2CCNE2CCNE1CDK4CCND1
Hydrochloric Acid SCHEMBL18613878 0.89 CDK2 (0.80) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL18613585 0.89 CDK2 (0.81) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL22056312 0.88 CDK2 (0.79) CDK2CCNE2CCNE1CDK4CCND1
Hydrochloric Acid SCHEMBL20583084 0.88 CDK2 (0.78) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL3467501 0.87 CDK2 (0.76) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL3467500 0.87 CDK2 (0.76) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL10112322 0.87 CCNE2 (0.76) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL4211405 0.86 CDK2 (0.74) CDK2CCNE2CCNE1CDK4CCND1

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
EP-4129293-A1 NERVE CELL DEGENERATION INHIBITOR Kyoto University (JP) 2023-02-08 EP disclosed