SCHEMBL27211392

SCHEMBL27211392

c1cnc2c(-c3ccnc(-c4ccc(OCCN5CCCCC5)cc4)c3)cnn2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.60
FLT1 P17948 7/20 0.59
KDR P35968 7/20 0.59
ACVR1 Q04771 7/20 0.59
PRKAB2 O43741 6/20 0.59
PRKAG1 P54619 6/20 0.59
PRKAA2 P54646 6/20 0.59
PRKAA1 Q13131 6/20 0.59
PRKAG3 Q9UGI9 6/20 0.59
PRKAG2 Q9UGJ0 6/20 0.59
PRKAB1 Q9Y478 6/20 0.59
LCK P06239 5/20 0.59
SRC P12931 5/20 0.59
BMP4 P12644 4/20 0.59
BMPR1B O00238 4/20 0.59
BMPR1A P36894 4/20 0.59
ACVRL1 P37023 4/20 0.59
EPHA2 P29317 4/20 0.59
RPS6KA1 Q15418 4/20 0.59
MKNK1 Q9BUB5 4/20 0.59

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
SCHEMBL21193361 0.76 KDR (0.52) TGFBR1KDRBMP4TGFBR2PIK3CD
Dorsomorphin SCHEMBL463155 0.74 KDR (1.00) TGFBR1FLT1KDRACVR1PRKAB2
SCHEMBL373363 0.74 TGFBR1 (0.69) TGFBR1PRKAB2PRKAG1PRKAA2PRKAA1
Dorsomorphin SCHEMBL2119244 0.73 KDR (0.98) TGFBR1FLT1KDRACVR1PRKAB2
Dorsomorphin SCHEMBL17845800 0.73 KDR (0.98) TGFBR1FLT1KDRACVR1PRKAB2
SCHEMBL15103081 0.73 PRKAB2 (0.68) TGFBR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11953875 0.73 KDR (0.83) TGFBR1FLT1KDRACVR1PRKAB2
Dorsomorphin SCHEMBL26968137 0.72 KDR (0.94) TGFBR1FLT1KDRACVR1PRKAB2
SCHEMBL11953876 0.72 KDR (1.00) TGFBR1FLT1KDRACVR1PRKAB2
SCHEMBL13126027 0.72 KDR (0.72) TGFBR1FLT1KDRACVR1PRKAB2

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
US-11976296-B2 Means and methods for generating midbrain organoids UNIVERSITÉ DU LUXEMBOURG (LU) 2024-05-07 US disclosed
WO-2022149616-A1 MEDIUM FOR CULTURING AND EXPANDING NEPHRON PROGENITOR CELLS, METHOD FOR CULTURING AND EXPANDING NEPHRON PROGENITOR CELLS, AND METHOD FOR PRODUCING RENAL ORGANOIDS 国立大学法人京都大学 2022-07-14 WO disclosed