SCHEMBL9728946

SCHEMBL9728946

Cc1cnc2c(C#N)cnn2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.53
KDM4E B2RXH2 10/20 0.45
ALDH1A1 P00352 8/20 0.45
KDM4D Q6B0I6 1/20 0.40
ABL1 P00519 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
HSD11B1 P28845 1/20 0.38
GLA P06280 2/20 0.38
PDE2A O00408 3/20 0.37
TGFBR1 P36897 1/20 0.36
HPGD P15428 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL1991834 0.79 CDK2 (0.53) CDK2KDM4EALDH1A1KDM4DABL1
SCHEMBL25097590 0.78 KDM4E (0.51) CDK2KDM4EALDH1A1KDM4DABL1
SCHEMBL14820098 0.78 CDK2 (0.49) CDK2KDM4EALDH1A1KDM4DABL1
SCHEMBL15308505 0.75 PDE2A (0.41) CDK2KDM4EKDRHTTHSD11B1
SCHEMBL26622012 0.75 CDK2 (0.49) CDK2KDM4EALDH1A1KDM4DABL1
SCHEMBL14805722 0.74 CDK2 (0.45) CDK2KDM4EALDH1A1KDM4DABL1
SCHEMBL20125123 0.74 TLR9 (0.38) CDK2KDM4EALDH1A1KDR
SCHEMBL12613502 0.73 KDR (0.55) CDK2KDM4EALDH1A1KDM4DKDR
SCHEMBL25209931 0.72 CDK2 (0.46) CDK2KDM4EALDH1A1KDM4DABL1
SCHEMBL21893829 0.72 SMPD3 (0.48) KDRHSD11B1PDE2A

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 5 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
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed