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Sugi Predict / Compounds / SCHEMBL6203788

SCHEMBL6203788

SCHEMBL6203788

CC(C)N(CCO)c1nc(NCc2c(N)cccc2Cl)c2c(n1)N(C(C)C)NN2C(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 3/20 0.32
▸ CCNE1 P24864 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CSF1R P07333 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
SCHEMBL6205538 0.84 CCNE2 (0.35) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6204218 0.83 CCNE2 (0.30) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6201113 0.82 CDK1 (0.46) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6203391 0.81 CCNE2 (0.31) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL3444269 0.80 CDK2 (0.40) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6202790 0.79 CDK5 (0.35) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6205532 0.79 CDK5 (0.35) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL3445226 0.79 CDK2 (0.41) CCNE1CDK2CDK1CDK5CSF1R
SCHEMBL3445245 0.78 CDK2 (0.45) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL3445804 0.78 BCDIN3D (0.38) CCNE2CCNE1CDK2CSF1R

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-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 — — EP claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 — — WO claimed