SCHEMBL6280395

SCHEMBL6280395

CC(C)(Nc1cc(-c2nnc3ccncn23)ccn1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ LATS1 O95835 1/20 0.35
▸ LATS2 Q9NRM7 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ PIM1 P11309 6/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ NTRK1 P04629 1/20 0.32

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
SCHEMBL6280409 0.85 ADORA2A (0.34) LATS1LATS2MAPKAPK2KDM4CGPR55
SCHEMBL25169867 0.72 ABL1 (0.54) ABL1PDGFRACSNK1A1CDK7BTK
SCHEMBL6285208 0.69 KDM4E (0.46) ABL1PDGFRACSNK1A1CDK7BTK
SCHEMBL25420134 0.63 PIM1 (0.44) KDM4EHSD17B10PIM1NR3C2
SCHEMBL6280307 0.61 KDM4E (0.57) ABL1PDGFRACSNK1A1CDK7BTK
SCHEMBL12143606 0.59 BRD4 (0.33) KDM4EHSD17B10
SCHEMBL14030401 0.58 MEN1 (0.40) —
SCHEMBL23458576 0.57 KDM4E (0.67) ABL1PDGFRACSNK1A1CDK7BTK
SCHEMBL12288275 0.57 NPC1 (0.43) GPR55
SCHEMBL25421165 0.57 KDM4E (0.53) ABL1PDGFRACSNK1A1CDK7BTK

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
Send feedback