SCHEMBL7419149

SCHEMBL7419149

CCOC(=O)c1cc(-n2cccn2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 1/20 0.50
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.44
ESRRA P11474 1/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
TNIK Q9UKE5 1/20 0.41
NLRP3 Q96P20 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 0.90 JAK2 (0.53) JAK2JAK3ALDH1A1HSD17B10RXFP1
SCHEMBL3369502 0.86 MAPT (0.48) JAK2JAK3ALDH1A1HSD17B10RXFP1
SCHEMBL18094323 0.85 JAK2 (0.51) JAK2JAK3ALDH1A1RXFP1RAB9A
SCHEMBL14130143 0.85 JAK2 (0.53) JAK2JAK3ALDH1A1RXFP1HPGD
SCHEMBL5063232 0.81 JAK2 (0.50) JAK2JAK3ALDH1A1RXFP1RAB9A
SCHEMBL7415910 0.81 JAK2 (0.48) JAK2JAK3ALDH1A1RXFP1HPGD
SCHEMBL8301932 0.80 MAPT (0.55) ALDH1A1HSD17B10HPGDRAB9ATSHR
SCHEMBL8296716 0.80 IP6K1 (0.51) ALDH1A1RXFP1MAPTLMNAKDM4E
SCHEMBL8425453 0.80 CAPN1 (0.47) ALDH1A1MAPTLMNAKDM4ENLRP3
SCHEMBL7078820 0.80 JAK2 (0.47) JAK2JAK3ALDH1A1HSD17B10RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
EP-0691967-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS Eisai Co., Ltd. (JP) 1996-01-17 EP disclosed
WO-1994022855-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO., LTD. (JP) 1994-10-13 WO disclosed