SCHEMBL28837679

SCHEMBL28837679

CC(C)(C)n1nc2ccc(Cl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ATM Q13315 2/20 0.40
RAB9A P51151 1/20 0.40
CHEK1 O14757 1/20 0.39
LIMK1 P53667 1/20 0.39
MAPK14 Q16539 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PIK3CG P48736 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12126371 0.77 F7 (0.45) F7F3DYRK1AMAPTKDM4E
SCHEMBL10272561 0.74 NPC1 (0.36) F7F3DYRK1AMAPTKDM4E
SCHEMBL25232020 0.74 F7 (0.46) F7F3DYRK1AMAPTKDM4E
SCHEMBL10233410 0.73 HPGD (0.42) MAPTKDM4ENPC1ATMRAB9A
SCHEMBL21215041 0.73 ALDH1A1 (0.47) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL10912104 0.72 KDM4E (0.47) F7F3DYRK1AMAPTKDM4E
SCHEMBL20015405 0.72 NPC1 (0.47) F7F3DYRK1AMAPTKDM4E
SCHEMBL27522759 0.71 F7 (0.43) F7F3DYRK1AMAPTKDM4E
SCHEMBL2734698 0.70 KMT2A (0.42) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL11663359 0.70 P2RX1 (0.39) F7F3DYRK1AMAPTKDM4E

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
CN-115052819-A Container for cyanoacrylate compositions and packages comprising cyanoacrylate compositions 汉高股份有限及两合公司 2022-09-13 CN disclosed