SCHEMBL18239042

SCHEMBL18239042

CCc1ncc2c(=O)cc[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.50
ADORA1 P30542 2/20 0.50
KDM4E B2RXH2 1/20 0.37
CCR8 P51685 1/20 0.36
AXL P30530 2/20 0.36
PRKCI P41743 2/20 0.36
DYRK1A Q13627 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NUDT1 P36639 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
TYK2 P29597 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 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
SCHEMBL19153433 0.78 ADORA2A (0.59) ADORA2AADORA1KDM4ECCR8AXL
SCHEMBL5067972 0.78 AXL (0.38) AXLPRKCINUDT1
SCHEMBL19131803 0.74 ADORA2A (0.50) ADORA2AADORA1KDM4ECCR8AXL
SCHEMBL10505142 0.73 ADORA1 (0.40) ADORA2AADORA1KMT2AALDH1A1GLA
SCHEMBL15557725 0.71 PRKCI (0.39) ADORA2AADORA1AXLPRKCIDYRK1A
SCHEMBL11610965 0.71 ADORA2A (0.46) ADORA2AADORA1KDM4ECCR8AXL
SCHEMBL10505990 0.70 ADORA2A (0.53) ADORA2AADORA1KDM4EAXLPRKCI
SCHEMBL12113604 0.69 JAK2 (0.44) ADORA2AADORA1KDM4EAXLPRKCI
SCHEMBL16478434 0.69 ADORA2A (0.40) ADORA2AADORA1AXLPRKCIDYRK1A
SCHEMBL10505531 0.69 PIK3CA (0.45) ADORA2AADORA1CCR8PRKCIDYRK1A

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