SCHEMBL24670372

SCHEMBL24670372

CC(C)n1c(=O)ccc2cnc(NCC3CCCCC3)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.59
MAPK10 P53779 11/20 0.59
MAPK9 P45984 8/20 0.59
CDK4 P11802 6/20 0.55
CCND1 P24385 6/20 0.55
CCND2 P30279 4/20 0.55
CCND3 P30281 4/20 0.55
CDK2 P24941 3/20 0.54
CCNE1 P24864 2/20 0.54
CCNT1 O60563 1/20 0.54
CDK9 P50750 1/20 0.54
CDK6 Q00534 1/20 0.54
AURKA O14965 1/20 0.51
LIMK1 P53667 1/20 0.51
AURKB Q96GD4 1/20 0.51
CCNA2 P20248 2/20 0.51
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK1 P06493 1/20 0.49
FGFR1 P11362 1/20 0.49

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
SCHEMBL24670363 0.94 MAPK8 (0.61) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL16802573 0.82 MAPK8 (0.82) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL25004173 0.80 CDK4 (0.67) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL24670370 0.79 CDK4 (0.63) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL24669972 0.76 CDK4 (0.69) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL24670368 0.74 CDK2 (0.77) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL18148266 0.74 MAPK8 (1.00) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL18148254 0.74 MAPK8 (1.00) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL24670365 0.74 CDK2 (0.77) MAPK8MAPK10MAPK9CDK4CCND1
SCHEMBL16802772 0.74 MAPK8 (1.00) MAPK8MAPK10MAPK9CDK4CCND1

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed