SCHEMBL30701043

SCHEMBL30701043

Nc1ccc(-c2ccncc2)c2c1C(=O)NC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CDC7 O00311 4/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
AURKB Q96GD4 2/20 0.41
INCENP Q9NQS7 2/20 0.41
MAPT P10636 2/20 0.41
CSF1R P07333 1/20 0.39
MAP3K9 P80192 2/20 0.37
MAP3K11 Q16584 2/20 0.37
PDE4B Q07343 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
AURKA O14965 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL18170546 1.00 KDR (0.50) KDRPARP10PARP11CDC7PDE3B
SCHEMBL3043388 0.86 KDR (0.54) KDRPARP10PARP11PDE3BPDE3A
SCHEMBL18170475 0.83 KDR (0.52) KDRPDE3BPDE3ACSF1RMAP3K9
SCHEMBL3046347 0.83 KDR (0.55) KDRCSF1RMAP3K9MAP3K11KDM4E
SCHEMBL18170563 0.83 KDR (0.61) KDRAURKBCSF1RMAP3K9MAP3K11
SCHEMBL18170540 0.83 KDR (0.52) KDRMAPTCSF1RMAP3K9MAP3K11
SCHEMBL29150545 0.81 CLK4 (0.42) KDRPARP10PARP11CDC7PDE3B
SCHEMBL30775227 0.81 PDE3B (0.45) KDRPARP10PARP11CDC7PDE3B
SCHEMBL18170608 0.80 KDR (0.52) KDRAURKBMAPTMAP3K9MAP3K11
SCHEMBL18170855 0.79 KDR (0.56) KDRPARP10PARP11AURKBMAPT

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-117295737-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-12-26 CN disclosed