SCHEMBL9828519

SCHEMBL9828519

Cc1nc(N)cc(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ THRB P10828 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ NCOA2 Q15596 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CLK1 P49759 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ CDK5 Q00535 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ CDK5R1 Q15078 1/20 0.54
▸ MAP3K14 Q99558 1/20 0.54
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51

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
SCHEMBL20620221 0.79 CLK1 (0.61) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL31298728 0.79 MAPT (0.51) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL26715660 0.75 CLK1 (0.58) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL17179315 0.75 TUBB4A (0.63) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15757369 0.73 CDK5 (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL4398433 0.73 MAPT (0.62) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL13624863 0.73 PDGFRB (0.60) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL25034150 0.72 TUBB4A (0.68) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL27361882 0.72 CLK1 (0.59) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL9827717 0.71 TUBB4A (0.55) MAPTKDM4EMEN1KMT2AALDH1A1

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-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 — — EP disclosed
WO-1990012790-A1 PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-01 — — WO disclosed
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