SCHEMBL7028871

SCHEMBL7028871

Cc1cc2[nH]ncc2cc1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPA1 O75762 4/20 0.41
FGFR1 P11362 2/20 0.41
AXL P30530 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL7989217 0.82 TRPA1 (0.48) CHEK1L3MBTL1KDM4EMAPTMEN1
SCHEMBL17920385 0.80 CHEK1 (0.48) CHEK1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL17442720 0.79 CHEK1 (0.47) CHEK1KDM4EMAPTMEN1KMT2A
SCHEMBL17120530 0.78 TRPA1 (0.50) CHEK1L3MBTL1KDM4EMAPTMEN1
SCHEMBL8404434 0.78 CHEK1 (0.58) CHEK1L3MBTL1KDM4EMAPTMEN1
SCHEMBL29769140 0.78 CHEK1 (0.58) CHEK1L3MBTL1KDM4EMAPTMEN1
SCHEMBL7312532 0.76 L3MBTL1 (0.47) CHEK1L3MBTL1MAPTMEN1KMT2A
SCHEMBL24455226 0.75 TRPA1 (0.54) CHEK1KDM4EMAPTMEN1KMT2A
SCHEMBL1273919 0.75 CHEK1 (0.73) CHEK1L3MBTL1KDM4EMAPTMEN1
SCHEMBL2579706 0.73 CHEK1 (0.70) CHEK1L3MBTL1KDM4EMAPTMEN1

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
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed