SCHEMBL30197579

SCHEMBL30197579

COc1cc2c(NCCNc3cccc4ccccc34)nc(N3CCN(c4ccccc4)CC3)nc2cc1OCC1CCN(CCNc2ccnc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 13/20 0.58
DNMT1 P26358 9/20 0.58
KMT5A Q9NQR1 3/20 0.49
EHMT2 Q96KQ7 4/20 0.47
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
NSD2 O96028 1/20 0.44
EZH2 Q15910 1/20 0.44
NSD3 Q9BZ95 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44

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
SCHEMBL18103409 1.00 DNMT3A (0.58) DNMT3ADNMT1KMT5AEHMT2KDM1A
SCHEMBL18095979 0.87 DNMT3A (0.70) DNMT3AEHMT2KDM1ANSD2EZH2
SCHEMBL18103408 0.86 KMT5A (0.57) DNMT3AKMT5AEHMT2KDM1ARCOR1
Hydrochloric Acid SCHEMBL30197627 0.85 KMT5A (0.56) DNMT3AKMT5AEHMT2KDM1ARCOR1
SCHEMBL18103389 0.82 KMT5A (0.52) DNMT3AKMT5AEHMT2KDM1ARCOR1
SCHEMBL30197751 0.82 EHMT2 (0.64) DNMT3AKMT5AEHMT2KDM1ARCOR1
SCHEMBL18103392 0.82 EHMT2 (0.64) DNMT3AKMT5AEHMT2KDM1ARCOR1
SCHEMBL20109391 0.80 DNMT3A (0.60) DNMT3AEHMT2KDM1ANSD2EZH2
SCHEMBL20109385 0.78 DNMT3A (0.58) DNMT3AEHMT2KDM1ANSD2EZH2
SCHEMBL18095981 0.78 DNMT3A (0.59) DNMT3AKMT5AEHMT2KDM1ARCOR1

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-3277676-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PF MEDICAMENT (FR) 2023-03-22 EP disclosed