SCHEMBL3718935

SCHEMBL3718935

COc1ccccc1CNc1nc(Cl)nc2c1ncn2C(C)C

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.77
YTHDC1 Q96MU7 1/20 0.60
ADORA3 P0DMS8 2/20 0.59
ADORA2A P29274 1/20 0.59
CDK2 P24941 8/20 0.56
CCNE1 P24864 7/20 0.56
CDK5 Q00535 3/20 0.54
CDK5R1 Q15078 2/20 0.54
CCNA2 P20248 1/20 0.54
CCNA1 P78396 1/20 0.54
DYRK1A Q13627 1/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
CCNT1 O60563 3/20 0.54
CDK9 P50750 3/20 0.54
CCNT2 O60583 2/20 0.54
CCNE2 O96020 2/20 0.54

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
SCHEMBL1444366 0.91 CDK2 (0.68) CDK1YTHDC1ADORA3ADORA2ACDK2
SCHEMBL785804 0.90 CDK2 (0.69) CDK1ADORA3ADORA2ACDK2CCNE1
SCHEMBL1443378 0.87 CDK1 (0.60) CDK1ADORA3ADORA2ACDK2CCNE1
SCHEMBL15756806 0.86 CDK1 (0.67) CDK1YTHDC1ADORA3ADORA2ACDK2
SCHEMBL1354599 0.85 CDK1 (0.72) CDK1YTHDC1CDK2CCNE1CDK5
SCHEMBL7227927 0.84 CDK1 (0.61) CDK1ADORA3CDK2CCNE1CDK5
SCHEMBL30607595 0.83 CDK1 (0.69) CDK1CDK2CCNE1CDK5CDK5R1
SCHEMBL22606149 0.82 CDK5 (0.65) CDK1YTHDC1CDK2CCNE1CDK5
SCHEMBL30332205 0.82 CDK1 (0.68) CDK1CDK2CCNE1CDK5CDK5R1
SCHEMBL1443462 0.82 CDK1 (0.68) CDK1CDK2CCNE1CDK5CDK5R1

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-2010121575-A1 OXALATO COMPLEXES OF PLATINUM Univerzita Palackého (CZ) 2010-10-28 WO disclosed