SCHEMBL31398124

SCHEMBL31398124

CCOC(=O)c1cnn2ccc(C3=CCCCC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.50
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
TSHR P16473 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37

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
SCHEMBL31398170 0.84 TGFBR1 (0.43) TGFBR1RAB9ANPC1
SCHEMBL20199807 0.82 JAK2 (0.44) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL30864203 0.78 KDM4E (0.55) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10204204 0.76 PDE2A (0.53) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL30864198 0.76 HPGD (0.67) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL30864194 0.76 MAPT (0.61) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL312787 0.76 TGFBR1 (0.55) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17781064 0.76 TGFBR1 (0.57) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL461752 0.75 TGFBR1 (0.51) TGFBR1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL16718855 0.75 KDM4E (0.58) TGFBR1KDM4EALDH1A1HSD17B10HPGD

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
WO-2024262911-A1 NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF 주식회사 에이조스바이오 2024-12-26 WO disclosed