SCHEMBL23668017

SCHEMBL23668017

CNc1c2ccccc2nc2cc(OCC3CCNC3)c(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 4/20 0.53
▸ EHMT2 Q96KQ7 7/20 0.49
▸ EGFR P00533 4/20 0.46
▸ FGFR1 P11362 4/20 0.46
▸ FLT1 P17948 4/20 0.46
▸ FLT4 P35916 4/20 0.46
▸ KDR P35968 4/20 0.46
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CHEK1 O14757 2/20 0.42
▸ CHEK2 O96017 2/20 0.42
▸ TRIM58 Q8NG06 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ ACP1 P24666 1/20 0.42

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
Hydrochloric Acid SCHEMBL29565760 0.99 KIT (0.52) KITEHMT2EGFRFGFR1FLT1
Hydrochloric Acid SCHEMBL19260531 0.99 KIT (0.52) KITEHMT2EGFRFGFR1FLT1
SCHEMBL19260534 0.83 KIT (0.54) KITEHMT2EGFRFGFR1FLT1
SCHEMBL19260530 0.82 KIT (0.55) KITEHMT2EGFRFGFR1FLT1
SCHEMBL19260529 0.80 EHMT2 (0.49) KITEHMT2EGFR
Trifluoroacetic Acid SCHEMBL20720749 0.77 KIT (0.47) KITEHMT2EGFRFGFR1FLT1
SCHEMBL30063343 0.76 EHMT2 (0.61) EHMT2CHEK1CHEK2
SCHEMBL24844128 0.76 EHMT2 (0.61) EHMT2CHEK1CHEK2
SCHEMBL24843852 0.76 EHMT2 (0.69) EHMT2CHEK1CHEK2
Trifluoroacetic Acid SCHEMBL20720740 0.75 KIT (0.49) KITEHMT2EGFRFGFR1FLT1

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-3416963-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-28 — — EP disclosed
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