SCHEMBL25680997

SCHEMBL25680997

CCc1cc2ncc(C)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BRAF P15056 1/20 0.36
GRM5 P41594 1/20 0.36
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
PDE10A Q9Y233 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL24967785 0.86 GRM5 (0.44) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL18555346 0.81 TDP1 (0.48) RAB9ASMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL25097484 0.78 HDAC6 (0.35) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL25680999 0.78 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL23562539 0.78 HDAC6 (0.54) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL10143654 0.77 NPC1 (0.64) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL25741795 0.74 NPC1 (0.45) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL20341670 0.73 NPC1 (0.46) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL25680979 0.73 NPC1 (0.42) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL31048036 0.71 KDM4E (0.38) RAB9ANPC1SMN1; SMN2KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed