SCHEMBL31380702

SCHEMBL31380702

c1nc2nc(C3CCOCC3)ncc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PAK1 Q13153 2/20 0.44
CDK2 P24941 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MTOR P42345 3/20 0.34
SCD O00767 2/20 0.33
KDM5B Q9UGL1 1/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PIK3CA P42336 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
OPRL1 P41146 1/20 0.32
CHEK1 O14757 1/20 0.31
PDPK1 O15530 1/20 0.31

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
SCHEMBL1375993 0.85 PAK1 (0.51) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL2951841 0.85 PAK1 (0.55) ALDH1A1KDM4EPAK1CDK2RXFP1
Hydrochloric Acid SCHEMBL6821631 0.84 PAK1 (0.54) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL10869151 0.84 PAK1 (0.57) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL9854792 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL1378385 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL4373728 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL2388908 0.76 PAK1 (0.46) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL2002538 0.75 PAK1 (0.48) ALDH1A1KDM4EPAK1CDK2RXFP1
SCHEMBL18167360 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EPAK1

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-2025026903-A1 IMIDAZO PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2025-02-06 WO disclosed