SCHEMBL18237944

SCHEMBL18237944

CCC1CNC(=O)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.47
▸ CDK9 P50750 1/20 0.43
▸ PIM1 P11309 8/20 0.43
▸ PIM2 Q9P1W9 8/20 0.43
▸ GSK3B P49841 1/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ TDP2 O95551 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PLCG1 P19174 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL19153187 0.79 CDC7 (0.43) CDC7PIM1PIM2GSK3BPARP1
SCHEMBL10081660 0.77 GSK3B (0.36) CDC7CDK9GSK3B
SCHEMBL18237843 0.76 P2RX7 (0.37) TDP2NSD2ABL1PLCG1CES1
SCHEMBL19131091 0.75 CDC7 (0.47) CDC7CDK9PIM1PIM2GSK3B
SCHEMBL1805501 0.71 HTR2A (0.38) CDC7CDK9PIM1PIM2PARP1
SCHEMBL1805504 0.71 HTR2A (0.38) CDC7CDK9PIM1PIM2PARP1
SCHEMBL18237551 0.70 HTR2A (0.33) MEN1KMT2A
SCHEMBL29361422 0.68 GSK3B (0.47) GSK3BTNKS2TDP2NSD2ABL1
SCHEMBL19117741 0.68 GSK3B (0.47) GSK3BTNKS2TDP2NSD2ABL1
SCHEMBL5155231 0.68 TNKS2 (0.42) GSK3BTNKS2TDP2NSD2ABL1

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-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 — — WO disclosed
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