SCHEMBL31298728

SCHEMBL31298728

CSc1cc(N)nc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ THRB P10828 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CLK1 P49759 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ CDK5R1 Q15078 2/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ MAP3K14 Q99558 1/20 0.50
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45

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
SCHEMBL9828519 0.79 MAPT (0.55) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL20620221 0.73 CLK1 (0.61) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL15757369 0.70 CDK5 (0.57) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL7503298 0.70 NR4A2 (0.62) MAPTSMN1; SMN2ALDH1A1HSD17B10PDGFRB
SCHEMBL4398433 0.70 MAPT (0.62) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL31298718 0.70 CYP1A2 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL28507270 0.70 ASH1L (0.55) SMN1; SMN2HSD17B10TUBB4ATUBBTUBA3C
SCHEMBL7496465 0.69 DYRK1A (0.63) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL25034150 0.69 TUBB4A (0.68) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL31298753 0.69 MEN1 (0.59) MAPTSMN1; SMN2KDM4EALDH1A1MEN1

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
WO-2024218798-A1 AMINOPYRIDINE ANALOGUES AS 5-HYDROXYTRYPTAMINE RECEPTOR MODULATORS AND USES THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-10-24 — — WO claimed
WO-2024218798-A1 AMINOPYRIDINE ANALOGUES AS 5-HYDROXYTRYPTAMINE RECEPTOR MODULATORS AND USES THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-10-24 — — WO disclosed
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