SCHEMBL19630864

SCHEMBL19630864

CC1CCC(Nc2nccc(-c3cnn(C)c3CC3CC3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.55
CDK7 P50613 2/20 0.55
CDK9 P50750 2/20 0.55
CCNK O75909 1/20 0.55
CDK13 Q14004 1/20 0.55
CDK12 Q9NYV4 1/20 0.55
CCNT1 O60563 1/20 0.55
CSNK1D P48730 1/20 0.55
CSNK1E P49674 1/20 0.55
CCNH P51946 1/20 0.55
PIK3C3 Q8NEB9 5/20 0.51
PIK3CD O00329 2/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CG P48736 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
CDK4 P11802 12/20 0.50
GSK3B P49841 7/20 0.50
CDK2 P24941 4/20 0.50
CDK1 P06493 3/20 0.46
CCNA2 P20248 3/20 0.46

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
SCHEMBL20421895 0.92 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629618 0.92 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629619 0.92 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL18480591 0.92 CSNK1A1 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL20421794 0.91 CSNK1A1 (0.67) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629622 0.91 CSNK1A1 (0.67) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL19629620 0.91 CSNK1A1 (0.67) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL18480113 0.90 PIK3C3 (0.61) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL25025606 0.89 PIK3C3 (0.55) CSNK1A1CDK7CDK9CCNKCDK13
SCHEMBL20421786 0.89 CSNK1A1 (0.52) CSNK1A1CDK7CDK9CCNKCDK13

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-2017201069-A1 OXOINDOLINE DERIVATIVES AS PROTEIN FUNCTION MODULATORS BIOTHERYX, INC. (US) 2017-11-23 WO disclosed