SCHEMBL9937313

SCHEMBL9937313

CC(C)c1nc2c(Cl)nc(Cl)nc2n1C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.44
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CYP2C19 P33261 1/20 0.32

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
SCHEMBL29599592 0.90 YTHDC1 (0.42) YTHDC1CYP2C19
SCHEMBL18050629 0.90 YTHDC1 (0.42) YTHDC1CYP2C19
SCHEMBL22411531 0.83 YTHDC1 (0.46) YTHDC1CCNT1CDK9CYP2C19
SCHEMBL19003136 0.83 YTHDC1 (0.39) YTHDC1
SCHEMBL5438946 0.83 YTHDC1 (0.46) YTHDC1CCNT1CDK9
SCHEMBL5435060 0.81 YTHDC1 (0.44) YTHDC1CYP2C19
SCHEMBL9936929 0.78 YTHDC1 (0.42) YTHDC1CYP2C19
SCHEMBL18050675 0.78 YTHDC1 (0.41) YTHDC1CYP2C19
SCHEMBL18050620 0.76 YTHDC1 (0.40) YTHDC1
SCHEMBL18050624 0.75 YTHDC1 (0.38) YTHDC1

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-2651951-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
WO-2012082997-A1 TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA-ROCHE AG (CH) 2012-06-21 WO disclosed