SCHEMBL30366972

SCHEMBL30366972

CNc1cc(C)nc(Nc2ccc(OC)c(OCCCN3CCC4(CC4)C3)c2)n1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 14/20 0.77
EHMT1 Q9H9B1 12/20 0.77
BRD4 O60885 1/20 0.43
EGFR P00533 1/20 0.42
IGF1R P08069 1/20 0.42
DOT1L Q8TEK3 1/20 0.40
DNMT1 P26358 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL19476777 1.00 EHMT2 (0.77) EHMT2EHMT1BRD4EGFRIGF1R
SCHEMBL19476447 0.94 EHMT2 (0.78) EHMT2EHMT1BRD4EGFRIGF1R
SCHEMBL19477091 0.87 EHMT2 (0.96) EHMT2EHMT1BRD4IGF1RDOT1L
SCHEMBL19477197 0.87 EHMT2 (1.00) EHMT2EHMT1BRD4EGFRIGF1R
SCHEMBL25620037 0.87 EHMT2 (0.58) EHMT2EHMT1BRD4DOT1LNPC1
SCHEMBL21743465 0.86 EHMT2 (0.98) EHMT2EHMT1BRD4EGFRIGF1R
SCHEMBL21743854 0.86 EHMT2 (0.98) EHMT2EHMT1BRD4EGFRIGF1R
SCHEMBL19462311 0.83 EHMT2 (0.78) EHMT2EHMT1BRD4EGFRIGF1R
SCHEMBL19477306 0.83 EHMT2 (0.78) EHMT2EHMT1BRD4IGF1RDOT1L
SCHEMBL25623836 0.83 EHMT2 (0.61) EHMT2EHMT1BRD4IGF1R

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-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed