SCHEMBL24653552

SCHEMBL24653552

Cc1ccc(Oc2ccc(N(C)c3ncnc4ccccc34)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.60
HDAC1 Q13547 4/20 0.55
HDAC8 Q9BY41 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
CSF1R P07333 7/20 0.51
PDGFRB P09619 3/20 0.46
KDR P35968 2/20 0.46
CASP1 P29466 1/20 0.44
CASP14 P31944 1/20 0.44
CASP3 P42574 1/20 0.44
CASP2 P42575 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
CASP12 Q6UXS9 1/20 0.44
CASP10 Q92851 1/20 0.44
PDGFRA P16234 1/20 0.43

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
SCHEMBL24653593 0.89 EGFR (0.62) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL24653591 0.87 EGFR (0.67) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL24653553 0.84 EGFR (0.67) EGFRHDAC1HDAC8HDAC6PDGFRB
SCHEMBL24653822 0.83 EGFR (0.60) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL28550388 0.83 HDAC1 (0.58) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL18088127 0.81 HDAC1 (0.64) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL18087970 0.81 HDAC1 (0.59) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL19789138 0.81 EGFR (0.58) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL3112121 0.80 EGFR (0.72) EGFRHDAC1HDAC8HDAC6CSF1R
SCHEMBL18088117 0.80 HDAC1 (0.63) 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
WO-2022237456-A1 USE OF 4-ARYLAMINOQUINAZOLINE HYDROXAMIC ACID COMPOUNDS IN PREPARATION OF PAIN DRUG 广东众生药业股份有限公司 2022-11-17 WO disclosed