SCHEMBL28636503

SCHEMBL28636503

[CH2]c1ccc(-c2cn[nH]c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.50
AKT1 P31749 1/20 0.50
CHEK1 O14757 8/20 0.42
CHEK2 O96017 4/20 0.42
ABL1 P00519 2/20 0.42
LRRK2 Q5S007 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAPK1 P28482 1/20 0.40
ROCK2 O75116 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PLK1 P53350 1/20 0.38

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
SCHEMBL29638874 0.81 AKT2 (0.56) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL29689263 0.79 AKT2 (0.54) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL16432987 0.78 AKT2 (0.76) AKT2AKT1ACVR1ROCK2PIM1
SCHEMBL15689115 0.78 AKT2 (0.76) AKT2AKT1ACVR1ROCK2PIM1
SCHEMBL4582237 0.77 AKT2 (0.61) AKT2AKT1ACVR1ROCK2PIM1
SCHEMBL18291404 0.76 PIK3CD (0.52) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL30279632 0.76 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL20255119 0.76 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL14783574 0.76 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1
SCHEMBL27252274 0.76 AKT2 (0.50) AKT2AKT1CHEK1CHEK2ABL1

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
CN-113430070-A CoWP-compatible semi-aqueous cleaning solution, and preparation method and application thereof 上海新阳半导体材料股份有限公司 2021-09-24 CN claimed
CN-113430070-A CoWP-compatible semi-aqueous cleaning solution, and preparation method and application thereof 上海新阳半导体材料股份有限公司 2021-09-24 CN disclosed