SCHEMBL9010477

SCHEMBL9010477

CCOC(=O)c1ccc(-n2cccn2)cc1NC(=O)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
RXFP1 Q9HBX9 1/20 0.46
BTK Q06187 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.42
MAPK10 P53779 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
TNIK Q9UKE5 1/20 0.41
NLRP3 Q96P20 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1969115 0.81 JAK2 (0.53) JAK2JAK3RXFP1ALDH1A1TSHR
SCHEMBL14130143 0.81 JAK2 (0.53) JAK2JAK3RXFP1ALDH1A1TSHR
SCHEMBL7419149 0.78 JAK2 (0.53) JAK2JAK3RXFP1ALDH1A1TSHR
SCHEMBL5063232 0.78 JAK2 (0.50) JAK2JAK3RXFP1ALDH1A1TSHR
SCHEMBL18094323 0.76 JAK2 (0.51) JAK2JAK3RXFP1ALDH1A1MAPK1
SCHEMBL7415910 0.73 JAK2 (0.48) JAK2JAK3RXFP1ALDH1A1MAPK1
SCHEMBL31157850 0.72 RXFP1 (0.52) RXFP1ALDH1A1MAPK1LMNAKDM4E
SCHEMBL1363765 0.72 RXFP1 (0.61) JAK2JAK3RXFP1ALDH1A1MAPK1
SCHEMBL18772204 0.72 JAK2 (0.47) JAK2JAK3BTKALDH1A1L3MBTL1
SCHEMBL7078820 0.71 JAK2 (0.47) JAK2JAK3RXFP1ALDH1A1MAPK1

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
US-5556873-A AGRICULTURAL PESTICIDES RHONE-POULENC INC. (US) 1996-09-17 US disclosed