SCHEMBL25680977

SCHEMBL25680977

Cc1cnc2c(C#N)c(C)nn2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.57
NTRK1 P04629 5/20 0.42
PIM1 P11309 5/20 0.42
ACVR1 Q04771 3/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX15 P16050 1/20 0.36
HPGD P15428 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL18578663 0.83 PIK3CG (0.54) PIK3CGNTRK1PIM1ACVR1KDM4E
SCHEMBL16646633 0.76 MAPT (0.44) ALDH1A1MAPTHSD17B10SMN1; SMN2NPC1
SCHEMBL7465828 0.73 SMN1; SMN2 (0.41) KDM4EALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL10556141 0.72 PIK3CG (1.00) PIK3CGNTRK1PIM1ACVR1KDM4E
Hydrochloric Acid SCHEMBL7826142 0.71 MAPT (0.41) KDM4EALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL16643961 0.70 MAPT (0.40) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9728946 0.70 CDK2 (0.53) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL29791702 0.69 KDM4E (0.45) PIK3CGKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL18717553 0.68 PDE2A (0.43) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL30320017 0.67 RAB9A (0.54) PIK3CGKDM4EALDH1A1MAPTSMN1; SMN2

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