SCHEMBL30898769

SCHEMBL30898769

CC(=O)c1ccnc(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.48
NOS2 P35228 3/20 0.48
NAPRT Q6XQN6 1/20 0.42
PRKCI P41743 6/20 0.39
LIMK1 P53667 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ATR Q13535 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PIK3CB P42338 1/20 0.35
NOS1 P29475 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30590435 0.82 SMN1; SMN2 (0.42) NOS3NOS2LIMK1ALDH1A1KDM4C
SCHEMBL28101555 0.82 NAPRT (0.41) NOS3NOS2NAPRTPRKCIALDH1A1
SCHEMBL18226305 0.81 NAPRT (0.59) NOS3NOS2NAPRTPRKCIALDH1A1
SCHEMBL21248760 0.81 NOS3 (0.45) NOS3NOS2NAPRTLIMK1ALDH1A1
SCHEMBL17619241 0.80 LMNA (0.40) ALDH1A1ATRKDM4CSMN1; SMN2
SCHEMBL29472130 0.80 LMNA (0.40) ALDH1A1ATRKDM4CSMN1; SMN2
Hydrochloric Acid SCHEMBL18226370 0.79 NAPRT (0.57) NOS3NOS2NAPRTPRKCIALDH1A1
SCHEMBL18224721 0.79 KDM4E (0.54) NOS3NOS2ALDH1A1ATRKDM4C
SCHEMBL21198627 0.79 KDM4E (0.38) PRKCILIMK1ALDH1A1PIK3CB
SCHEMBL20520335 0.79 NAPRT (0.47) NOS3NOS2NAPRTPRKCIALDH1A1

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
CN-114712321-B Diaminopyridine phosphate sustained release tablet and preparation method thereof 河北一品生物医药有限公司 2024-05-24 CN disclosed