SCHEMBL30880480

SCHEMBL30880480

COc1cc(N)cc(-n2ccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.59
CYP11B2 P19099 4/20 0.59
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP19A1 P11511 5/20 0.47
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
ENPP2 Q13822 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
NOTUM Q6P988 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30880594 1.00 CYP11B1 (0.59) CYP11B1CYP11B2LMNAMAPTMAOA
SCHEMBL31138008 0.88 CYP11B1 (0.68) CYP11B1CYP11B2LMNAMAPTMAOA
SCHEMBL14483736 0.88 CYP11B1 (0.68) CYP11B1CYP11B2LMNAMAPTMAOA
SCHEMBL30050066 0.81 CYP11B1 (0.59) CYP11B1CYP11B2LMNAMAPTMAOA
SCHEMBL29186518 0.81 CYP11B1 (0.59) CYP11B1CYP11B2LMNAMAPTMAOA
SCHEMBL9609628 0.78 LMNA (0.55) CYP11B1CYP11B2LMNAMAPTCYP19A1
SCHEMBL30880680 0.78 LMNA (0.55) CYP11B1CYP11B2LMNAMAPTCYP19A1
SCHEMBL285074 0.78 CYP11B1 (0.73) CYP11B1CYP11B2LMNAMAPTMAOA
SCHEMBL8333311 0.77 CYP11B1 (0.55) CYP11B1CYP11B2LMNAMAPTMAOA
SCHEMBL6389607 0.77 CYP11B1 (0.71) CYP11B1CYP11B2LMNAMAPTMAOA

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
WO-2024078513-A1 CONDENSED AZINES FOR TREATING CANCER CHENGDU ANTICANCER BIOSCIENCE , LTD. (CN) 2024-04-18 WO disclosed