SCHEMBL30309300

SCHEMBL30309300

N#Cc1sc(N)nc1-c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.51
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
KDM4E B2RXH2 5/20 0.42
GLA P06280 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
HCRTR1 O43613 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL1850971 1.00 TGFBR1 (0.51) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL3829949 0.78 MYC (0.59) TGFBR1
SCHEMBL19638056 0.77 TGFBR1 (0.48) TGFBR1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL1449744 0.77 CDC7 (0.58) KDM4EGLAMAPTALDH1A1GAA
SCHEMBL15993170 0.77 KDR (0.41) KDM4EGLANPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL20511964 0.76 KDR (0.40) KDM4EGLANPC1MAPTRAB9A
SCHEMBL11796387 0.76 TGFBR1 (0.56) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL3737029 0.76 TGFBR1 (0.55) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL31361561 0.76 TGFBR1 (0.55) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL18230478 0.75 CCR1 (0.49) KDM4EMAPTALDH1A1HPGDL3MBTL1

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
CN-110198939-B Modulators of adenosine A3 receptors 帕罗生物制药有限公司 2023-03-28 CN disclosed