SCHEMBL28606141

SCHEMBL28606141

Nc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2n2cc(N)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
JAK1 P23458 3/20 0.47
JAK2 O60674 2/20 0.47
GRIN2B Q13224 7/20 0.46
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL27059331 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL30891597 0.76 PREP (0.47) SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL266047 0.75 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL1189968 0.75 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6524693 0.75 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL27278368 0.74 AXL (0.42) SMN1; SMN2CYP2C19NPC1RAB9ACYP2C9
Hydrochloric Acid SCHEMBL2514584 0.74 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL504825 0.74 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19NPC1RAB9AJAK1
Hydrochloric Acid SCHEMBL6175666 0.74 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL716733 0.74 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 CN disclosed
CN-113993861-A Phenylethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives and compositions and methods thereof 凌科药业(杭州)有限公司 2022-01-28 CN disclosed
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed