SCHEMBL9412465

SCHEMBL9412465

O=C(Nc1nc(Cl)c2nc[nH]c2n1)C(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL5483576 0.87 ADORA1 (0.40) ALDH1A1HPGDSMN1; SMN2
SCHEMBL29665061 0.87 ADORA1 (0.40) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9412613 0.85 JAK3 (0.32) JAK3MEN1KMT2AALDH1A1MAPT
SCHEMBL15064128 0.83 EGLN1 (0.32) EGLN1
SCHEMBL5197095 0.82 CYP1A2 (0.39) ALDH1A1HPGD
SCHEMBL9412739 0.81 MAPT (0.35) JAK3MEN1KMT2AALDH1A1MAPT
SCHEMBL9412606 0.79 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL9412467 0.78 DPP4 (0.50)
SCHEMBL14260670 0.76 CSNK2A1 (0.32)
SCHEMBL12072485 0.75 ATR (0.41) MAPT

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-0590361-A1 Process for the preparation of 2-amino-6-halopurines BASF Aktiengesellschaft (DE) 1994-04-06 EP disclosed