SCHEMBL30185559

SCHEMBL30185559

Cc1nc(N)sc1-c1cccc2c1C(C(F)(F)F)=NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
PRMT6 Q96LA8 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CLK1 P49759 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH2 P25021 4/20 0.33
HRH1 P35367 4/20 0.33
HRH4 Q9H3N8 4/20 0.33
HRH3 Q9Y5N1 4/20 0.33
PIK3CG P48736 2/20 0.33
CCNT1 O60563 1/20 0.32

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
SCHEMBL30185551 0.77 TSHR (0.32) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL29099535 0.77 HRH2 (0.36) MPLPRMT6MAPTSMN1; SMN2HRH2
SCHEMBL30185591 0.77 HRH2 (0.36) MPLPRMT6MAPTSMN1; SMN2HRH2
SCHEMBL31544002 0.69 MEN1 (0.40) MPLMEN1KMT2ANPC1RAB9A
SCHEMBL28357048 0.66 TGFBR1 (0.57) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL330359 0.65 BRD4 (0.51) ALDH1A1SMN1; SMN2HRH2HRH1HRH4
SCHEMBL12555393 0.65 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL28357002 0.65 HSD17B10 (0.49) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL149617 0.63 HSD11B1 (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31544001 0.62 PRMT6 (0.37) MPLMEN1KMT2ANPC1RAB9A

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
CN-115611883-B PI3K alpha inhibitor with double-ring structure, and preparation method and application thereof 生物岛实验室 2025-03-28 CN disclosed
CN-115611883-A PI3K alpha inhibitor with bicyclic structure and preparation method and application thereof 生物岛实验室 2023-01-17 CN disclosed