SCHEMBL19260529

SCHEMBL19260529

CNc1c2ccccc2nc2cc(OCC3CCN(C(C)(C)C)C3)c(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.49
▸ EGFR P00533 6/20 0.44
▸ KIT P10721 5/20 0.43
▸ ABL1 P00519 4/20 0.41
▸ SRC P12931 4/20 0.41
▸ ABL2 P42684 4/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ NSD2 O96028 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
SCHEMBL19260534 0.89 KIT (0.54) EHMT2EGFRKITABL1SRC
SCHEMBL19260530 0.85 KIT (0.55) EHMT2EGFRKITABL1SRC
SCHEMBL19260528 0.84 TLR9 (0.48) EHMT2NSD2
Trifluoroacetic Acid SCHEMBL20720749 0.83 KIT (0.47) EHMT2EGFRKITABL1SRC
Trifluoroacetic Acid SCHEMBL20720740 0.80 KIT (0.49) EHMT2EGFRKITABL1SRC
SCHEMBL23668017 0.80 KIT (0.53) EHMT2EGFRKIT
Hydrochloric Acid SCHEMBL19260531 0.79 KIT (0.52) EHMT2EGFRKIT
Hydrochloric Acid SCHEMBL29565760 0.79 KIT (0.52) EHMT2EGFRKIT
SCHEMBL19260536 0.76 EHMT2 (0.58) EHMT2EGFRKITNSD2
SCHEMBL20720636 0.75 EHMT2 (0.53) EHMT2EGFRABL1SRCNSD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416963-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2018-12-26 — — EP disclosed
WO-2017142947-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-08-24 — — WO disclosed
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