SCHEMBL29671963

SCHEMBL29671963

Cc1ccc(NC(=O)CNc2cc(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 6/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL28755158 1.00 MEN1 (0.47) MEN1KMT2AMAPTMCHR1TP53
SCHEMBL28755140 0.94 MEN1 (0.48) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL29671961 0.94 MEN1 (0.48) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL28755369 0.92 MAPT (0.45) MAPTMCHR1TP53HSD17B10TSHR
SCHEMBL28755228 0.92 MAPT (0.50) MAPTMCHR1TP53SMN1; SMN2LMNA
SCHEMBL29672019 0.92 MAPT (0.50) MAPTMCHR1TP53SMN1; SMN2LMNA
SCHEMBL29672039 0.92 MAPT (0.45) MAPTMCHR1TP53HSD17B10TSHR
SCHEMBL28942154 0.92 MAPT (0.46) MAPTMCHR1TP53SMN1; SMN2ALDH1A1
SCHEMBL29671920 0.92 MAPT (0.46) MAPTMCHR1TP53SMN1; SMN2ALDH1A1
SCHEMBL28755139 0.91 PIK3CD (0.48) MEN1KMT2AMAPTALDH1A1KDM4E

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-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 — — CN disclosed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 — — CN disclosed
Send feedback