SCHEMBL6420520

SCHEMBL6420520

[c]1cc2ccccc2n1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.41
PLD1 Q13393 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35

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
SCHEMBL7494120 0.72
SCHEMBL5750912 0.71 HTR2C (0.49) RAB9AALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL718221 0.71 KDM4E (0.37) ALDH1A1KDM4ESMN1; SMN2MAPK1KMT2A
SCHEMBL11625717 0.68 POLB (0.50) POLBRAB9APLD1ALDH1A1SMN1; SMN2
SCHEMBL29388549 0.67 CDC7 (0.60) POLBRAB9AALDH1A1PRKD3PRKACA
SCHEMBL31107087 0.67 CDC7 (0.60) POLBRAB9AALDH1A1PRKD3PRKACA
SCHEMBL524138 0.67 CDC7 (0.60) POLBRAB9AALDH1A1PRKD3PRKACA
SCHEMBL7102988 0.67 KAT2B (0.46) POLBRAB9AALDH1A1GAAKDM4E
SCHEMBL11504697 0.66 MAOA (0.41) POLBALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL31020506 0.66 IRAK4 (0.57) POLBRAB9AALDH1A1GAAKDM4E

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-113166058-A Fluoro beta-carboline compounds 奥斯特克有限公司 2021-07-23 CN disclosed
CN-112996506-A Pyrrolodipyridine compounds 奥斯特克有限公司 2021-06-18 CN disclosed
EP-1534293-A1 ANTI-INFLAMMATORY COMPOSITIONS AND METHODS OF USE Chemocentryx, Inc. (US) 2005-06-01 EP disclosed
WO-2003105857-A1 ANTI-INFLAMMATORY COMPOSITIONS AND METHODS OF USE CHEMOCENTRYX (US) 2003-12-24 WO disclosed