SCHEMBL6280409

SCHEMBL6280409

CC(C)(Nc1cc(-c2nccc3nncn23)ccn1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.32
▸ NR3C2 P08235 2/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ LATS2 Q9NRM7 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ VNN1 O95497 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL6280395 0.85 ABL1 (0.36) MAPK1MAPK10GPR55NR3C2LATS1
SCHEMBL11391249 0.74 POLB (0.49) ADORA2AMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL6286431 0.72 MAPK9 (0.42) ALDH1A1MAPK10
SCHEMBL23176173 0.61 SMN1; SMN2 (0.40) ADORA2AMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL21672427 0.61 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2A
SCHEMBL23331067 0.59 TOP2A (0.35) MAPK1ALDH1A1SMN1; SMN2
SCHEMBL12288275 0.58 NPC1 (0.43) SMN1; SMN2GPR55NPC1RAB9A
SCHEMBL2562918 0.56 ALDH1A1 (0.51) ALDH1A1GPR55VNN1NPC1RAB9A
SCHEMBL2480308 0.54 FDPS (0.53) MAPK10
SCHEMBL450601 0.54 MAPKAPK2 (0.46) MAPK1ALDH1A1TSHRNR3C2VNN1

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
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 — — US disclosed
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