SCHEMBL7874438

SCHEMBL7874438

C=C(O)C1CCC(c2cc(N)n3ncc(-c4ccnc5cc(Cl)ccc45)c3n2)CN1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.42
CCNA2 P20248 13/20 0.42
CDK2 P24941 13/20 0.42
CCNA1 P78396 13/20 0.42
ACVR1 Q04771 1/20 0.37
BMP4 P12644 2/20 0.36
GRM4 Q14833 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
SCHEMBL6894225 0.92 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1ACVR1
SCHEMBL7879287 0.85 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1ACVR1
SCHEMBL6893213 0.81 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1ACVR1
SCHEMBL6894237 0.77 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1ACVR1
SCHEMBL7882498 0.77 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1
SCHEMBL6894250 0.75 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1
SCHEMBL7882759 0.73 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL10236515 0.72 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891716 0.70 CHEK1 (0.45) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891599 0.70 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed