SCHEMBL19789214

SCHEMBL19789214

Cc1cnc(Cc2ccc(N(C)c3ncnc4ccccc34)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.60
HDAC1 Q13547 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
CSF1R P07333 9/20 0.44
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19789088 0.87 EGFR (0.67) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL19789093 0.86 EGFR (0.58) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL19789100 0.84 EGFR (0.57) EGFRHDAC1HDAC8HDAC6PDGFRB
SCHEMBL19789103 0.84 EGFR (0.62) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL19789107 0.83 HDAC1 (0.53) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL3119399 0.81 EGFR (0.79) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL19789095 0.81 EGFR (0.58) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL24653822 0.78 EGFR (0.60) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL3109912 0.77 EGFR (1.00) EGFRHDAC1HDAC8HDAC6CSF1R
Hydrochloric Acid SCHEMBL6182107 0.75 EGFR (0.97) EGFRHDAC1HDAC8HDAC6CSF1R

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
EP-3272742-A1 HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-01-24 EP disclosed