SCHEMBL5312802

SCHEMBL5312802

C[C@H](Nc1ncnc2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 1.00
NR2F2 P24468 1/20 1.00
EGFR P00533 8/20 0.64
KRAS P01116 1/20 0.64
SOS1 Q07889 1/20 0.64
TNF P01375 1/20 0.61
RAB9A P51151 1/20 0.61
NOD1 Q9Y239 1/20 0.61
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 1/20 0.60
CCNE2 O96020 3/20 0.57
CCNE1 P24864 3/20 0.57
CDK2 P24941 3/20 0.57
CDK4 P11802 2/20 0.57
CCND1 P24385 2/20 0.57
DYRK1A Q13627 2/20 0.57
AURKA O14965 1/20 0.56
RPS6KB1 P23443 1/20 0.56

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
SCHEMBL17181108 1.00 GALR3 (1.00) GALR3NR2F2EGFRKRASSOS1
SCHEMBL29490300 0.88 GALR3 (0.78) GALR3NR2F2EGFRKRASSOS1
SCHEMBL28502349 0.88 GALR3 (0.78) GALR3NR2F2EGFRKRASSOS1
SCHEMBL22862564 0.88 GALR3 (0.78) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505701 0.84 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL13283262 0.84 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL6837669 0.84 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL6837666 0.84 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL31505705 0.84 GALR3 (0.72) GALR3NR2F2EGFRKRASSOS1
SCHEMBL15889088 0.83 GALR3 (0.71) GALR3NR2F2EGFRRAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed